3-[3-(4-benzhydrylpiperazin-1-yl)propyl]-1H-benzimidazol-2-one

C27H30N4O — CID 4615

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IUPAC3-[3-(4-benzhydrylpiperazin-1-yl)propyl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=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)
InChIKeyBAINIUMDFURPJM-UHFFFAOYSA-N
MW426.56 g/mol
LogP4.13
Rot. Bonds7

About 3-[3-(4-benzhydrylpiperazin-1-yl)propyl]-1H-benzimidazol-2-one

3-[3-(4-benzhydrylpiperazin-1-yl)propyl]-1H-benzimidazol-2-one (PubChem CID 4615) has the molecular formula C27H30N4O and a molecular weight of 426.56 g/mol. Its IUPAC name is 3-[3-(4-benzhydrylpiperazin-1-yl)propyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[3-(4-benzhydrylpiperazin-1-yl)propyl]-1H-benzimidazol-2-one
PubChem CID4615
Molecular FormulaC27H30N4O
Molecular Weight426.56 g/mol
Exact Mass426.24
IUPAC Name3-[3-(4-benzhydrylpiperazin-1-yl)propyl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=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)
InChIKeyBAINIUMDFURPJM-UHFFFAOYSA-N
XLogP4.13
TPSA44.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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(5R)-5,6-Dihydro-5-(propylamino)-4H-imidazo(4,5,1-ij)quinolin-2(1H)-one
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1-((2R,6S,9aR)-6-Phenyl-octahydro-quinolizin-2-yl)-1,3-dihydro-benzoimidazol-2-one
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1,3-Dihydro-1-(1,2,3,6-tetrahydro-1-(phenylmethyl)-4-pyridinyl)-2H-benzimidazol-2-one
CID 96482
1-(1-(4,4-Bis(4-fluorophenyl)butyl)-4-piperidinyl)-5-chloro-1,3-dihydro-2H-benzimidazol-2-one
CID 65449
3-(1-Benzylpiperidin-4-yl)-1-phenylurea
CID 4064342
Tbpb
CID 10092649
1-(1-{[4-(6-methyl-5-oxo-3-phenyl-4,5-dihydropyrazin-2-yl)phenyl]methyl}piperidin-4-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 10289038

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-benzhydrylpiperazin-1-yl)propyl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[3-(4-benzhydrylpiperazin-1-yl)propyl]-1H-benzimidazol-2-one (CID 4615) is 3-[3-(4-benzhydrylpiperazin-1-yl)propyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[3-(4-benzhydrylpiperazin-1-yl)propyl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[3-(4-benzhydrylpiperazin-1-yl)propyl]-1H-benzimidazol-2-one is O=c1[nH]c2ccccc2n1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 3-[3-(4-benzhydrylpiperazin-1-yl)propyl]-1H-benzimidazol-2-one?
The InChIKey is BAINIUMDFURPJM-UHFFFAOYSA-N. The full InChI is 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).
What are the key properties of 3-[3-(4-benzhydrylpiperazin-1-yl)propyl]-1H-benzimidazol-2-one?
3-[3-(4-benzhydrylpiperazin-1-yl)propyl]-1H-benzimidazol-2-one has a molecular weight of 426.56 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-benzhydrylpiperazin-1-yl)propyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 4615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).