2-(1-hydroxyethyl)-1-(2-hydroxyethyl)benzimidazole-5-carboxylic acid

C12H14N2O4 — CID 46308149

IUPAC2-(1-hydroxyethyl)-1-(2-hydroxyethyl)benzimidazole-5-carboxylic acid
SMILESCC(O)c1nc2cc(C(=O)O)ccc2n1CCO
InChIInChI=1S/C12H14N2O4/c1-7(16)11-13-9-6-8(12(17)18)2-3-10(9)14(11)4-5-15/h2-3,6-7,15-16H,4-5H2,1H3,(H,17,18)
InChIKeyLLWZMRNCHFPVFW-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.78
Rot. Bonds4

About 2-(1-hydroxyethyl)-1-(2-hydroxyethyl)benzimidazole-5-carboxylic acid

2-(1-hydroxyethyl)-1-(2-hydroxyethyl)benzimidazole-5-carboxylic acid (PubChem CID 46308149) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 2-(1-hydroxyethyl)-1-(2-hydroxyethyl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(1-hydroxyethyl)-1-(2-hydroxyethyl)benzimidazole-5-carboxylic acid
PubChem CID46308149
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name2-(1-hydroxyethyl)-1-(2-hydroxyethyl)benzimidazole-5-carboxylic acid
SMILESCC(O)c1nc2cc(C(=O)O)ccc2n1CCO
InChIInChI=1S/C12H14N2O4/c1-7(16)11-13-9-6-8(12(17)18)2-3-10(9)14(11)4-5-15/h2-3,6-7,15-16H,4-5H2,1H3,(H,17,18)
InChIKeyLLWZMRNCHFPVFW-UHFFFAOYSA-N
XLogP0.78
TPSA95.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(1-hydroxyethyl)-1-(2-hydroxyethyl)benzimidazole-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

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxyethyl)-1-(2-hydroxyethyl)benzimidazole-5-carboxylic acid?
The IUPAC name of 2-(1-hydroxyethyl)-1-(2-hydroxyethyl)benzimidazole-5-carboxylic acid (CID 46308149) is 2-(1-hydroxyethyl)-1-(2-hydroxyethyl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-(1-hydroxyethyl)-1-(2-hydroxyethyl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-(1-hydroxyethyl)-1-(2-hydroxyethyl)benzimidazole-5-carboxylic acid is CC(O)c1nc2cc(C(=O)O)ccc2n1CCO.
What is the InChIKey of 2-(1-hydroxyethyl)-1-(2-hydroxyethyl)benzimidazole-5-carboxylic acid?
The InChIKey is LLWZMRNCHFPVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-7(16)11-13-9-6-8(12(17)18)2-3-10(9)14(11)4-5-15/h2-3,6-7,15-16H,4-5H2,1H3,(H,17,18).
What are the key properties of 2-(1-hydroxyethyl)-1-(2-hydroxyethyl)benzimidazole-5-carboxylic acid?
2-(1-hydroxyethyl)-1-(2-hydroxyethyl)benzimidazole-5-carboxylic acid has a molecular weight of 250.25 g/mol, XLogP of 0.78, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxyethyl)-1-(2-hydroxyethyl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 46308149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).