2-(1-benzylpiperidin-4-yl)-1-cyclopentylbenzimidazole-5-carboxylic acid

C25H29N3O2 — CID 10179321

IUPAC2-(1-benzylpiperidin-4-yl)-1-cyclopentylbenzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(C1CCN(Cc3ccccc3)CC1)n2C1CCCC1
InChIInChI=1S/C25H29N3O2/c29-25(30)20-10-11-23-22(16-20)26-24(28(23)21-8-4-5-9-21)19-12-14-27(15-13-19)17-18-6-2-1-3-7-18/h1-3,6-7,10-11,16,19,21H,4-5,8-9,12-15,17H2,(H,29,30)
InChIKeyWAIJNPAXQPEBEK-UHFFFAOYSA-N
MW403.53 g/mol
LogP5.23
Rot. Bonds5

About 2-(1-benzylpiperidin-4-yl)-1-cyclopentylbenzimidazole-5-carboxylic acid

2-(1-benzylpiperidin-4-yl)-1-cyclopentylbenzimidazole-5-carboxylic acid (PubChem CID 10179321) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 2-(1-benzylpiperidin-4-yl)-1-cyclopentylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(1-benzylpiperidin-4-yl)-1-cyclopentylbenzimidazole-5-carboxylic acid
PubChem CID10179321
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC Name2-(1-benzylpiperidin-4-yl)-1-cyclopentylbenzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(C1CCN(Cc3ccccc3)CC1)n2C1CCCC1
InChIInChI=1S/C25H29N3O2/c29-25(30)20-10-11-23-22(16-20)26-24(28(23)21-8-4-5-9-21)19-12-14-27(15-13-19)17-18-6-2-1-3-7-18/h1-3,6-7,10-11,16,19,21H,4-5,8-9,12-15,17H2,(H,29,30)
InChIKeyWAIJNPAXQPEBEK-UHFFFAOYSA-N
XLogP5.23
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.53
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1-benzylpiperidin-4-yl)-1-cyclopentylbenzimidazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopentyl-2-[1-(4-methylphenyl)sulfanylpiperidin-4-yl]benzimidazole-5-carboxylic acid;ethane
CID 142198410
1-[1-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-2-methylbenzimidazole-5-carboxylic acid
CID 25070960
2-chloro-1-cyclopropylbenzimidazole-5-carboxylic acid
CID 83842368
1-cyclopentyl-2-(3-phenylmethoxyphenyl)benzimidazole-5-carboxylic acid
CID 23515913
2-(4-chlorophenyl)-1-cyclopentylbenzimidazole-5-carboxylic acid
CID 23516040
4-(1-benzylpiperidin-4-yl)benzoic acid
CID 125492559
1-cyclohexyl-2-(2-fluorophenyl)benzimidazole-5-carboxylic acid
CID 153153541
1-cyclopentyl-2-[3-(3-hydroxypropyl)phenyl]benzimidazole-5-carboxylic acid
CID 71216208
4-[(2-cyclobutylbenzimidazol-1-yl)methyl]benzoic acid
CID 22716378
3-[(4-phenylpiperidin-1-yl)methyl]benzoic acid
CID 122028587
1-cyclohexyl-2-[4-(3-phenylpropoxy)phenyl]benzimidazole-5-carboxylic acid
CID 10275979
4-[(4-phenylpiperidin-1-yl)methyl]benzoic acid;hydrochloride
CID 146018012

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylpiperidin-4-yl)-1-cyclopentylbenzimidazole-5-carboxylic acid?
The IUPAC name of 2-(1-benzylpiperidin-4-yl)-1-cyclopentylbenzimidazole-5-carboxylic acid (CID 10179321) is 2-(1-benzylpiperidin-4-yl)-1-cyclopentylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-(1-benzylpiperidin-4-yl)-1-cyclopentylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 2-(1-benzylpiperidin-4-yl)-1-cyclopentylbenzimidazole-5-carboxylic acid is O=C(O)c1ccc2c(c1)nc(C1CCN(Cc3ccccc3)CC1)n2C1CCCC1.
What is the InChIKey of 2-(1-benzylpiperidin-4-yl)-1-cyclopentylbenzimidazole-5-carboxylic acid?
The InChIKey is WAIJNPAXQPEBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c29-25(30)20-10-11-23-22(16-20)26-24(28(23)21-8-4-5-9-21)19-12-14-27(15-13-19)17-18-6-2-1-3-7-18/h1-3,6-7,10-11,16,19,21H,4-5,8-9,12-15,17H2,(H,29,30).
What are the key properties of 2-(1-benzylpiperidin-4-yl)-1-cyclopentylbenzimidazole-5-carboxylic acid?
2-(1-benzylpiperidin-4-yl)-1-cyclopentylbenzimidazole-5-carboxylic acid has a molecular weight of 403.53 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylpiperidin-4-yl)-1-cyclopentylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 10179321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).