1-(1-methyl-2-oxo-3H-benzimidazol-5-yl)cyclopentane-1-carboxylic acid

C14H16N2O3 — CID 117404703

IUPAC1-(1-methyl-2-oxo-3H-benzimidazol-5-yl)cyclopentane-1-carboxylic acid
SMILESCn1c(=O)[nH]c2cc(C3(C(=O)O)CCCC3)ccc21
InChIInChI=1S/C14H16N2O3/c1-16-11-5-4-9(8-10(11)15-13(16)19)14(12(17)18)6-2-3-7-14/h4-5,8H,2-3,6-7H2,1H3,(H,15,19)(H,17,18)
InChIKeyYMZVCPBOFLQRGX-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.76
Rot. Bonds2

About 1-(1-methyl-2-oxo-3H-benzimidazol-5-yl)cyclopentane-1-carboxylic acid

1-(1-methyl-2-oxo-3H-benzimidazol-5-yl)cyclopentane-1-carboxylic acid (PubChem CID 117404703) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 1-(1-methyl-2-oxo-3H-benzimidazol-5-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(1-methyl-2-oxo-3H-benzimidazol-5-yl)cyclopentane-1-carboxylic acid
PubChem CID117404703
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name1-(1-methyl-2-oxo-3H-benzimidazol-5-yl)cyclopentane-1-carboxylic acid
SMILESCn1c(=O)[nH]c2cc(C3(C(=O)O)CCCC3)ccc21
InChIInChI=1S/C14H16N2O3/c1-16-11-5-4-9(8-10(11)15-13(16)19)14(12(17)18)6-2-3-7-14/h4-5,8H,2-3,6-7H2,1H3,(H,15,19)(H,17,18)
InChIKeyYMZVCPBOFLQRGX-UHFFFAOYSA-N
XLogP1.76
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(1-methyl-2-oxo-3H-benzimidazol-5-yl)cyclopentane-1-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

6-(1-aminocyclopentyl)-3-methyl-1H-benzimidazol-2-one
CID 117334570
1-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)cyclobutane-1-carboxylic acid
CID 117369870
1-[(3-methyl-2-oxo-1H-benzimidazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120512737
1-(1H-indol-6-yl)cyclopentane-1-carboxylic acid
CID 82618762
1-(1-methylindol-5-yl)cyclobutane-1-carboxylic acid
CID 96802129
1-(3-chloro-1-methylindol-5-yl)cyclopentane-1-carboxylic acid
CID 117445299
1-(1,4-dimethyl-2,3-dihydroquinoxalin-6-yl)cyclohexane-1-carboxylic acid
CID 117466068
1-(1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)cyclobutane-1-carboxylic acid
CID 117401868
1-(3-hydroxy-4-methylsulfanylphenyl)cyclopentane-1-carboxylic acid
CID 117384299
1-(1,3-dimethylindazol-6-yl)cyclohexane-1-carboxylic acid
CID 117433820
1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentane-1-carboxylic acid
CID 117047079
3,6-dimethyl-1H-benzimidazol-2-one;molecular hydrogen
CID 144928816

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-2-oxo-3H-benzimidazol-5-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(1-methyl-2-oxo-3H-benzimidazol-5-yl)cyclopentane-1-carboxylic acid (CID 117404703) is 1-(1-methyl-2-oxo-3H-benzimidazol-5-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(1-methyl-2-oxo-3H-benzimidazol-5-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(1-methyl-2-oxo-3H-benzimidazol-5-yl)cyclopentane-1-carboxylic acid is Cn1c(=O)[nH]c2cc(C3(C(=O)O)CCCC3)ccc21.
What is the InChIKey of 1-(1-methyl-2-oxo-3H-benzimidazol-5-yl)cyclopentane-1-carboxylic acid?
The InChIKey is YMZVCPBOFLQRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-16-11-5-4-9(8-10(11)15-13(16)19)14(12(17)18)6-2-3-7-14/h4-5,8H,2-3,6-7H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 1-(1-methyl-2-oxo-3H-benzimidazol-5-yl)cyclopentane-1-carboxylic acid?
1-(1-methyl-2-oxo-3H-benzimidazol-5-yl)cyclopentane-1-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-2-oxo-3H-benzimidazol-5-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 117404703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).