5-chloro-1-ethylbenzimidazole-2-carboxylic acid

C10H9ClN2O2 — CID 130659632

IUPAC5-chloro-1-ethylbenzimidazole-2-carboxylic acid
SMILESCCn1c(C(=O)O)nc2cc(Cl)ccc21
InChIInChI=1S/C10H9ClN2O2/c1-2-13-8-4-3-6(11)5-7(8)12-9(13)10(14)15/h3-5H,2H2,1H3,(H,14,15)
InChIKeyURAAHWGRSNFIIM-UHFFFAOYSA-N
MW224.65 g/mol
LogP2.41
Rot. Bonds2

About 5-chloro-1-ethylbenzimidazole-2-carboxylic acid

5-chloro-1-ethylbenzimidazole-2-carboxylic acid (PubChem CID 130659632) has the molecular formula C10H9ClN2O2 and a molecular weight of 224.65 g/mol. Its IUPAC name is 5-chloro-1-ethylbenzimidazole-2-carboxylic acid.

Molecular Properties

Compound Name5-chloro-1-ethylbenzimidazole-2-carboxylic acid
PubChem CID130659632
Molecular FormulaC10H9ClN2O2
Molecular Weight224.65 g/mol
Exact Mass224.04
IUPAC Name5-chloro-1-ethylbenzimidazole-2-carboxylic acid
SMILESCCn1c(C(=O)O)nc2cc(Cl)ccc21
InChIInChI=1S/C10H9ClN2O2/c1-2-13-8-4-3-6(11)5-7(8)12-9(13)10(14)15/h3-5H,2H2,1H3,(H,14,15)
InChIKeyURAAHWGRSNFIIM-UHFFFAOYSA-N
XLogP2.41
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-1-ethylbenzimidazole-2-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

5-(aminomethyl)-1-ethylbenzimidazole-2-carboxylic acid
CID 84786621
1-ethylimidazo[4,5-c]pyridine-2-carboxylic acid
CID 131128805
ethyl 2-(5-chloro-1-ethylbenzimidazol-2-yl)propanoate
CID 79474797
1-(2-acetyl-1-ethylbenzimidazol-5-yl)ethanone
CID 21025939
5-chloro-2-(1-chloroethyl)-1-ethylbenzimidazole
CID 43666414
2-(5-chloro-1-ethylbenzimidazol-2-yl)benzene-1,3-diol
CID 136813261
6-chloro-1-methylbenzimidazole-2-carboxylic acid
CID 83868060
N-(5-chloro-1-ethylbenzimidazol-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 84594039
5-chloro-1-ethyl-2-(1-phenylpropyl)benzimidazole
CID 46310477
3-(5-chloro-1-methylbenzimidazol-2-yl)-2,2-dimethylpropanoic acid
CID 84640275
6-chloro-1-hydroxybenzimidazole-2-carboxylic acid
CID 123194154
(5-chloro-1-ethylbenzimidazol-2-yl)-phenylmethanamine
CID 60784401

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-ethylbenzimidazole-2-carboxylic acid?
The IUPAC name of 5-chloro-1-ethylbenzimidazole-2-carboxylic acid (CID 130659632) is 5-chloro-1-ethylbenzimidazole-2-carboxylic acid.
What is the SMILES notation for 5-chloro-1-ethylbenzimidazole-2-carboxylic acid?
The canonical SMILES for 5-chloro-1-ethylbenzimidazole-2-carboxylic acid is CCn1c(C(=O)O)nc2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-1-ethylbenzimidazole-2-carboxylic acid?
The InChIKey is URAAHWGRSNFIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2/c1-2-13-8-4-3-6(11)5-7(8)12-9(13)10(14)15/h3-5H,2H2,1H3,(H,14,15).
What are the key properties of 5-chloro-1-ethylbenzimidazole-2-carboxylic acid?
5-chloro-1-ethylbenzimidazole-2-carboxylic acid has a molecular weight of 224.65 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-ethylbenzimidazole-2-carboxylic acid is sourced from PubChem (CID 130659632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).