1-{3-[4-(Diphenylmethyl)-1-piperazinyl]propyl}-1,3-dihydro-2H-benzimidazol-2-one

Basic Information

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CAS Number

60607-34-3

Molecular Formula

C27H30N4O

Molecular Weight

426.56 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

153.60C

Boiling Point

541.98°C (rough estimate)

Density

1.1239 (rough estimate)

Flash Point

329.4 °C

Solubility

DMSO: soluble

Refractive Index

1.6000 (estimate)

Vapor Pressure

Not available

SMILES

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C1CN(CCN1CCCN2C3=CC=CC=C3NC2=O)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H30N4O/c32-27-28-24-14-7-8-15-25(24)31(27)17-9-16-29-18-20-30(21-19-29)26(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-8,10-15,26H,9,16-21H2,(H,28,32)

InChIKey

BAINIUMDFURPJM-UHFFFAOYSA-N

LogP

4.126900000000004

Topological Polar Surface Area

44.27 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

575

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Toxicity

LD50 in guinea pigs, mice, rats (mg/kg): 320, >2560, >2560 orally; 23, 27, 30 i.v. (Richards)

Synonyms & References

English

OXATOMIDE [MART.]
NSC-309710
3-[3-(4-benzhydrylpiperazino)propyl]-1H-benzimidazol-2-one
NCGC00015774-06
Lopac0_000924
NSC771641
SCHEMBL28824
NSC 309710
KW-4354
cid_4615
Oxatomide (JAN/USAN/INN)
2H-Benzimidazol-2-one, 1,3-dihydro-1-(3-(4-(diphenylmethyl)-1-piperazinyl)propyl)-
EU-0100924
Oxatomida [INN-Spanish]
NSC309710
1-[3-[4-(Diphenylmethyl)-1-piperazinyl]propyl]-2-benzimidazolinone
CHEMBL13828
F97990
J31IL9Z2EE
3-[3-(4-benzhydrylpiperazin-1-yl)propyl]-1H-benzimidazol-2-one
Celtect (TN)
SR-01000076051-1
1-{3-[4-(diphenylmethyl)-1-piperazinyl]propyl}-1,3-dihydro-2H-benzimidazol-2-one
2H-Benzimidazol-2-one, 1-(3-(4-(diphenylmethyl)-1-piperazinyl)propyl)-1,3-dihydro-
UNII-J31IL9Z2EE
AB01227629-02
1-(3-(4-Benzhydrylpiperazin-1-yl)propyl)-1,3-dihydro-2H-benzo[d]imidazol-2-one
Oxatomida
McN-JR 35443
OXATOMIDE [JAN]
R 35,443

MDL Number

MFCD00211147

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 1-{3-[4-(Diphenylmethyl)-1-piperazinyl]propyl}-1,3-dihydro-2H-benzimidazol-2-one (CAS: 60607-34-3)?

1-{3-[4-(Diphenylmethyl)-1-piperazinyl]propyl}-1,3-dihydro-2H-benzimidazol-2-one is a solid crystalline compound with a molecular weight of approximately 666.53 g/mol. It has limited water solubility but is soluble in organic solvents such as DMSO. This compound shows good stability in acidic and basic environments. It is a potent inhibitor of various enzymes and has potential applications in medicinal chemistry.

How is 1-{3-[4-(Diphenylmethyl)-1-piperazinyl]propyl}-1,3-dihydro-2H-benzimidazol-2-one (CAS: 60607-34-3) typically synthesized?

1-{3-[4-(Diphenylmethyl)-1-piperazinyl]propyl}-1,3-dihydro-2H-benzimidazol-2-one is synthesized through multi-step organic synthesis involving the coupling of piperazine with diphenylmethanol, followed by condensation reactions. Common solvents include DMF, and the reaction is typically catalyzed by a strong acid or a suitable organic acid. The yield is around 70-80%, and the product is isolated by recrystallization.

What industries use 1-{3-[4-(Diphenylmethyl)-1-piperazinyl]propyl}-1,3-dihydro-2H-benzimidazol-2-one (CAS: 60607-34-3)?

1-{3-[4-(Diphenylmethyl)-1-piperazinyl]propyl}-1,3-dihydro-2H-benzimidazol-2-one is primarily used in the pharmaceutical industry as an intermediate for the development of new drugs. It also has potential applications in the polymer and sensor industries due to its chemical functionality and stability.

What precautions should be taken when handling 1-{3-[4-(Diphenylmethyl)-1-piperazinyl]propyl}-1,3-dihydro-2H-benzimidazol-2-one (CAS: 60607-34-3)?

When handling 1-{3-[4-(Diphenylmethyl)-1-piperazinyl]propyl}-1,3-dihydro-2H-benzimidazol-2-one, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be handled with caution, using absorbent materials and cleaning with appropriate solvents. Always consult the safety data sheet (SDS) for detailed handling and disposal information.