4,6-dichloro-1H-benzimidazole-2-carboxylic acid

C8H4Cl2N2O2 — CID 10014099

IUPAC4,6-dichloro-1H-benzimidazole-2-carboxylic acid
SMILESO=C(O)c1nc2c(Cl)cc(Cl)cc2[nH]1
InChIInChI=1S/C8H4Cl2N2O2/c9-3-1-4(10)6-5(2-3)11-7(12-6)8(13)14/h1-2H,(H,11,12)(H,13,14)
InChIKeyLQOGGLYHEXTXDE-UHFFFAOYSA-N
MW231.04 g/mol
LogP2.57
Rot. Bonds1

About 4,6-dichloro-1H-benzimidazole-2-carboxylic acid

4,6-dichloro-1H-benzimidazole-2-carboxylic acid (PubChem CID 10014099) has the molecular formula C8H4Cl2N2O2 and a molecular weight of 231.04 g/mol. Its IUPAC name is 4,6-dichloro-1H-benzimidazole-2-carboxylic acid.

Molecular Properties

Compound Name4,6-dichloro-1H-benzimidazole-2-carboxylic acid
PubChem CID10014099
Molecular FormulaC8H4Cl2N2O2
Molecular Weight231.04 g/mol
Exact Mass229.96
IUPAC Name4,6-dichloro-1H-benzimidazole-2-carboxylic acid
SMILESO=C(O)c1nc2c(Cl)cc(Cl)cc2[nH]1
InChIInChI=1S/C8H4Cl2N2O2/c9-3-1-4(10)6-5(2-3)11-7(12-6)8(13)14/h1-2H,(H,11,12)(H,13,14)
InChIKeyLQOGGLYHEXTXDE-UHFFFAOYSA-N
XLogP2.57
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.04
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4,6-dichloro-1H-benzimidazole-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

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-1H-benzimidazole-2-carboxylic acid?
The IUPAC name of 4,6-dichloro-1H-benzimidazole-2-carboxylic acid (CID 10014099) is 4,6-dichloro-1H-benzimidazole-2-carboxylic acid.
What is the SMILES notation for 4,6-dichloro-1H-benzimidazole-2-carboxylic acid?
The canonical SMILES for 4,6-dichloro-1H-benzimidazole-2-carboxylic acid is O=C(O)c1nc2c(Cl)cc(Cl)cc2[nH]1.
What is the InChIKey of 4,6-dichloro-1H-benzimidazole-2-carboxylic acid?
The InChIKey is LQOGGLYHEXTXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2N2O2/c9-3-1-4(10)6-5(2-3)11-7(12-6)8(13)14/h1-2H,(H,11,12)(H,13,14).
What are the key properties of 4,6-dichloro-1H-benzimidazole-2-carboxylic acid?
4,6-dichloro-1H-benzimidazole-2-carboxylic acid has a molecular weight of 231.04 g/mol, XLogP of 2.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-1H-benzimidazole-2-carboxylic acid is sourced from PubChem (CID 10014099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).