2-[3-(4-benzylpiperidine-1-carbonyl)phenyl]-1-cyclopentylbenzimidazole-5-carboxylic acid

C32H33N3O3 — CID 23515885

IUPAC2-[3-(4-benzylpiperidine-1-carbonyl)phenyl]-1-cyclopentylbenzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(-c1cccc(C(=O)N3CCC(Cc4ccccc4)CC3)c1)n2C1CCCC1
InChIInChI=1S/C32H33N3O3/c36-31(34-17-15-23(16-18-34)19-22-7-2-1-3-8-22)25-10-6-9-24(20-25)30-33-28-21-26(32(37)38)13-14-29(28)35(30)27-11-4-5-12-27/h1-3,6-10,13-14,20-21,23,27H,4-5,11-12,15-19H2,(H,37,38)
InChIKeyHOAMFGDCXBPVPA-UHFFFAOYSA-N
MW507.63 g/mol
LogP6.61
Rot. Bonds6

About 2-[3-(4-benzylpiperidine-1-carbonyl)phenyl]-1-cyclopentylbenzimidazole-5-carboxylic acid

2-[3-(4-benzylpiperidine-1-carbonyl)phenyl]-1-cyclopentylbenzimidazole-5-carboxylic acid (PubChem CID 23515885) has the molecular formula C32H33N3O3 and a molecular weight of 507.63 g/mol. Its IUPAC name is 2-[3-(4-benzylpiperidine-1-carbonyl)phenyl]-1-cyclopentylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[3-(4-benzylpiperidine-1-carbonyl)phenyl]-1-cyclopentylbenzimidazole-5-carboxylic acid
PubChem CID23515885
Molecular FormulaC32H33N3O3
Molecular Weight507.63 g/mol
Exact Mass507.25
IUPAC Name2-[3-(4-benzylpiperidine-1-carbonyl)phenyl]-1-cyclopentylbenzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(-c1cccc(C(=O)N3CCC(Cc4ccccc4)CC3)c1)n2C1CCCC1
InChIInChI=1S/C32H33N3O3/c36-31(34-17-15-23(16-18-34)19-22-7-2-1-3-8-22)25-10-6-9-24(20-25)30-33-28-21-26(32(37)38)13-14-29(28)35(30)27-11-4-5-12-27/h1-3,6-10,13-14,20-21,23,27H,4-5,11-12,15-19H2,(H,37,38)
InChIKeyHOAMFGDCXBPVPA-UHFFFAOYSA-N
XLogP6.61
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.63
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-2-(3-phenylmethoxyphenyl)benzimidazole-5-carboxylic acid
CID 23515913
1-cyclopentyl-2-[3-(3-hydroxypropyl)phenyl]benzimidazole-5-carboxylic acid
CID 71216208
1-cyclopentyl-2-(3-hydroxyphenyl)benzimidazole-5-carboxylic acid
CID 23515705
1-cyclopentyl-2-(3-fluorophenyl)benzimidazole-5-carboxylic acid
CID 23515701
1-cyclopentyl-2-[3-(naphthalen-1-ylmethylcarbamoyl)phenyl]benzimidazole-5-carboxylic acid
CID 23515648
2-[3-[(benzhydrylamino)methyl]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid
CID 23515899
2-[3-(benzhydrylcarbamoyl)phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid
CID 23515900
1-cyclohexyl-2-[3-[(naphthalen-1-ylamino)methyl]phenyl]benzimidazole-5-carboxylic acid
CID 23515478
1-cyclohexyl-2-[3-[[(3,4-dichlorophenyl)methylamino]methyl]phenyl]benzimidazole-5-carboxylic acid
CID 23515504
2-[3-[(N-benzyl-4-tert-butylanilino)methyl]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid
CID 23515906
1-cyclopentyl-2-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]benzimidazole-5-carboxylic acid
CID 23515765
2-[3-(1,3-benzothiazol-2-ylcarbamoyl)phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid
CID 23515901

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-benzylpiperidine-1-carbonyl)phenyl]-1-cyclopentylbenzimidazole-5-carboxylic acid?
The IUPAC name of 2-[3-(4-benzylpiperidine-1-carbonyl)phenyl]-1-cyclopentylbenzimidazole-5-carboxylic acid (CID 23515885) is 2-[3-(4-benzylpiperidine-1-carbonyl)phenyl]-1-cyclopentylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-[3-(4-benzylpiperidine-1-carbonyl)phenyl]-1-cyclopentylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 2-[3-(4-benzylpiperidine-1-carbonyl)phenyl]-1-cyclopentylbenzimidazole-5-carboxylic acid is O=C(O)c1ccc2c(c1)nc(-c1cccc(C(=O)N3CCC(Cc4ccccc4)CC3)c1)n2C1CCCC1.
What is the InChIKey of 2-[3-(4-benzylpiperidine-1-carbonyl)phenyl]-1-cyclopentylbenzimidazole-5-carboxylic acid?
The InChIKey is HOAMFGDCXBPVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N3O3/c36-31(34-17-15-23(16-18-34)19-22-7-2-1-3-8-22)25-10-6-9-24(20-25)30-33-28-21-26(32(37)38)13-14-29(28)35(30)27-11-4-5-12-27/h1-3,6-10,13-14,20-21,23,27H,4-5,11-12,15-19H2,(H,37,38).
What are the key properties of 2-[3-(4-benzylpiperidine-1-carbonyl)phenyl]-1-cyclopentylbenzimidazole-5-carboxylic acid?
2-[3-(4-benzylpiperidine-1-carbonyl)phenyl]-1-cyclopentylbenzimidazole-5-carboxylic acid has a molecular weight of 507.63 g/mol, XLogP of 6.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-benzylpiperidine-1-carbonyl)phenyl]-1-cyclopentylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 23515885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).