3-(1-cyclopropyl-5-methylbenzimidazol-2-yl)cyclopentane-1-carboxylic acid

C17H20N2O2 — CID 103551612

IUPAC3-(1-cyclopropyl-5-methylbenzimidazol-2-yl)cyclopentane-1-carboxylic acid
SMILESCc1ccc2c(c1)nc(C1CCC(C(=O)O)C1)n2C1CC1
InChIInChI=1S/C17H20N2O2/c1-10-2-7-15-14(8-10)18-16(19(15)13-5-6-13)11-3-4-12(9-11)17(20)21/h2,7-8,11-13H,3-6,9H2,1H3,(H,20,21)
InChIKeyWAZVPYVOLSOLMW-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.65
Rot. Bonds3

About 3-(1-cyclopropyl-5-methylbenzimidazol-2-yl)cyclopentane-1-carboxylic acid

3-(1-cyclopropyl-5-methylbenzimidazol-2-yl)cyclopentane-1-carboxylic acid (PubChem CID 103551612) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-(1-cyclopropyl-5-methylbenzimidazol-2-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(1-cyclopropyl-5-methylbenzimidazol-2-yl)cyclopentane-1-carboxylic acid
PubChem CID103551612
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name3-(1-cyclopropyl-5-methylbenzimidazol-2-yl)cyclopentane-1-carboxylic acid
SMILESCc1ccc2c(c1)nc(C1CCC(C(=O)O)C1)n2C1CC1
InChIInChI=1S/C17H20N2O2/c1-10-2-7-15-14(8-10)18-16(19(15)13-5-6-13)11-3-4-12(9-11)17(20)21/h2,7-8,11-13H,3-6,9H2,1H3,(H,20,21)
InChIKeyWAZVPYVOLSOLMW-UHFFFAOYSA-N
XLogP3.65
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-cyclopropyl-5-methylbenzimidazol-2-yl)propanoic acid
CID 60784983
1-cyclopropyl-5-methyl-2-(3-methylpyrrolidin-2-yl)benzimidazole
CID 102776684
3-(1-tert-butylbenzimidazol-2-yl)cyclopentane-1-carboxylic acid
CID 103551605
trans-(1R,3R)-3-(3-methylphenyl)cyclopentane-1-carboxylic acid
CID 95438610
3-(4-cyclopropyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid
CID 103552376
2-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)cyclopentane-1-carboxylic acid
CID 103979426
2-(1-ethyl-5-methylbenzimidazol-2-yl)cyclohexane-1-carboxylic acid
CID 60784348
cis-(1S,3R)-3-(1-cyclopropyl-5-methoxybenzimidazol-2-yl)cyclopentan-1-amine
CID 106322605
2-cyclopropyl-3-(3-methylcyclopentyl)benzimidazole-5-carboxylic acid
CID 114549169
1-cyclopropyl-2-(2,2-dimethylpropyl)benzimidazole-5-carboxylic acid
CID 82488600
2-methyl-1-(4-methylcyclohexyl)benzimidazole-5-carboxylic acid
CID 43322927
1-cyclopentyl-2-[1-(4-methylphenyl)sulfanylpiperidin-4-yl]benzimidazole-5-carboxylic acid;ethane
CID 142198410

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopropyl-5-methylbenzimidazol-2-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(1-cyclopropyl-5-methylbenzimidazol-2-yl)cyclopentane-1-carboxylic acid (CID 103551612) is 3-(1-cyclopropyl-5-methylbenzimidazol-2-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(1-cyclopropyl-5-methylbenzimidazol-2-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(1-cyclopropyl-5-methylbenzimidazol-2-yl)cyclopentane-1-carboxylic acid is Cc1ccc2c(c1)nc(C1CCC(C(=O)O)C1)n2C1CC1.
What is the InChIKey of 3-(1-cyclopropyl-5-methylbenzimidazol-2-yl)cyclopentane-1-carboxylic acid?
The InChIKey is WAZVPYVOLSOLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-10-2-7-15-14(8-10)18-16(19(15)13-5-6-13)11-3-4-12(9-11)17(20)21/h2,7-8,11-13H,3-6,9H2,1H3,(H,20,21).
What are the key properties of 3-(1-cyclopropyl-5-methylbenzimidazol-2-yl)cyclopentane-1-carboxylic acid?
3-(1-cyclopropyl-5-methylbenzimidazol-2-yl)cyclopentane-1-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopropyl-5-methylbenzimidazol-2-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103551612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).