6-chloro-2-(2-phenylethyl)-1H-benzimidazole-4-carboxylic acid

C16H13ClN2O2 — CID 15287948

IUPAC6-chloro-2-(2-phenylethyl)-1H-benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)cc2[nH]c(CCc3ccccc3)nc12
InChIInChI=1S/C16H13ClN2O2/c17-11-8-12(16(20)21)15-13(9-11)18-14(19-15)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,18,19)(H,20,21)
InChIKeyFWEGNXHSFGQCLK-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.70
Rot. Bonds4

About 6-chloro-2-(2-phenylethyl)-1H-benzimidazole-4-carboxylic acid

6-chloro-2-(2-phenylethyl)-1H-benzimidazole-4-carboxylic acid (PubChem CID 15287948) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is 6-chloro-2-(2-phenylethyl)-1H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-(2-phenylethyl)-1H-benzimidazole-4-carboxylic acid
PubChem CID15287948
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name6-chloro-2-(2-phenylethyl)-1H-benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)cc2[nH]c(CCc3ccccc3)nc12
InChIInChI=1S/C16H13ClN2O2/c17-11-8-12(16(20)21)15-13(9-11)18-14(19-15)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,18,19)(H,20,21)
InChIKeyFWEGNXHSFGQCLK-UHFFFAOYSA-N
XLogP3.70
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-chloro-2-(2-phenylethyl)-1H-benzimidazole-4-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 6-chloro-2-(2-phenylethyl)-1H-benzimidazole-4-carboxylic acid?
The IUPAC name of 6-chloro-2-(2-phenylethyl)-1H-benzimidazole-4-carboxylic acid (CID 15287948) is 6-chloro-2-(2-phenylethyl)-1H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for 6-chloro-2-(2-phenylethyl)-1H-benzimidazole-4-carboxylic acid?
The canonical SMILES for 6-chloro-2-(2-phenylethyl)-1H-benzimidazole-4-carboxylic acid is O=C(O)c1cc(Cl)cc2[nH]c(CCc3ccccc3)nc12.
What is the InChIKey of 6-chloro-2-(2-phenylethyl)-1H-benzimidazole-4-carboxylic acid?
The InChIKey is FWEGNXHSFGQCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c17-11-8-12(16(20)21)15-13(9-11)18-14(19-15)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,18,19)(H,20,21).
What are the key properties of 6-chloro-2-(2-phenylethyl)-1H-benzimidazole-4-carboxylic acid?
6-chloro-2-(2-phenylethyl)-1H-benzimidazole-4-carboxylic acid has a molecular weight of 300.75 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2-phenylethyl)-1H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 15287948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).