4-(4-bromo-2-oxo-3H-benzimidazol-1-yl)cyclohexane-1-carboxylic acid

C14H15BrN2O3 — CID 155679397

IUPAC4-(4-bromo-2-oxo-3H-benzimidazol-1-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(n2c(=O)[nH]c3c(Br)cccc32)CC1
InChIInChI=1S/C14H15BrN2O3/c15-10-2-1-3-11-12(10)16-14(20)17(11)9-6-4-8(5-7-9)13(18)19/h1-3,8-9H,4-7H2,(H,16,20)(H,18,19)
InChIKeyYMVVXUNZOGKAPM-UHFFFAOYSA-N
MW339.19 g/mol
LogP2.91
Rot. Bonds2

About 4-(4-bromo-2-oxo-3H-benzimidazol-1-yl)cyclohexane-1-carboxylic acid

4-(4-bromo-2-oxo-3H-benzimidazol-1-yl)cyclohexane-1-carboxylic acid (PubChem CID 155679397) has the molecular formula C14H15BrN2O3 and a molecular weight of 339.19 g/mol. Its IUPAC name is 4-(4-bromo-2-oxo-3H-benzimidazol-1-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(4-bromo-2-oxo-3H-benzimidazol-1-yl)cyclohexane-1-carboxylic acid
PubChem CID155679397
Molecular FormulaC14H15BrN2O3
Molecular Weight339.19 g/mol
Exact Mass338.03
IUPAC Name4-(4-bromo-2-oxo-3H-benzimidazol-1-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(n2c(=O)[nH]c3c(Br)cccc32)CC1
InChIInChI=1S/C14H15BrN2O3/c15-10-2-1-3-11-12(10)16-14(20)17(11)9-6-4-8(5-7-9)13(18)19/h1-3,8-9H,4-7H2,(H,16,20)(H,18,19)
InChIKeyYMVVXUNZOGKAPM-UHFFFAOYSA-N
XLogP2.91
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(4-bromo-2-oxo-3H-benzimidazol-1-yl)cyclohexane-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

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-oxo-3H-benzimidazol-1-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(4-bromo-2-oxo-3H-benzimidazol-1-yl)cyclohexane-1-carboxylic acid (CID 155679397) is 4-(4-bromo-2-oxo-3H-benzimidazol-1-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(4-bromo-2-oxo-3H-benzimidazol-1-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(4-bromo-2-oxo-3H-benzimidazol-1-yl)cyclohexane-1-carboxylic acid is O=C(O)C1CCC(n2c(=O)[nH]c3c(Br)cccc32)CC1.
What is the InChIKey of 4-(4-bromo-2-oxo-3H-benzimidazol-1-yl)cyclohexane-1-carboxylic acid?
The InChIKey is YMVVXUNZOGKAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3/c15-10-2-1-3-11-12(10)16-14(20)17(11)9-6-4-8(5-7-9)13(18)19/h1-3,8-9H,4-7H2,(H,16,20)(H,18,19).
What are the key properties of 4-(4-bromo-2-oxo-3H-benzimidazol-1-yl)cyclohexane-1-carboxylic acid?
4-(4-bromo-2-oxo-3H-benzimidazol-1-yl)cyclohexane-1-carboxylic acid has a molecular weight of 339.19 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-oxo-3H-benzimidazol-1-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 155679397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).