2-[2-(3-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]acetic acid

C17H15ClN2O2 — CID 94748134

IUPAC2-[2-(3-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]acetic acid
SMILESCc1cc2nc(-c3cccc(Cl)c3)n(CC(=O)O)c2cc1C
InChIInChI=1S/C17H15ClN2O2/c1-10-6-14-15(7-11(10)2)20(9-16(21)22)17(19-14)12-4-3-5-13(18)8-12/h3-8H,9H2,1-2H3,(H,21,22)
InChIKeyQOQQLBZQLSPGNX-UHFFFAOYSA-N
MW314.77 g/mol
LogP4.06
Rot. Bonds3

About 2-[2-(3-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]acetic acid

2-[2-(3-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]acetic acid (PubChem CID 94748134) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]acetic acid
PubChem CID94748134
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name2-[2-(3-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]acetic acid
SMILESCc1cc2nc(-c3cccc(Cl)c3)n(CC(=O)O)c2cc1C
InChIInChI=1S/C17H15ClN2O2/c1-10-6-14-15(7-11(10)2)20(9-16(21)22)17(19-14)12-4-3-5-13(18)8-12/h3-8H,9H2,1-2H3,(H,21,22)
InChIKeyQOQQLBZQLSPGNX-UHFFFAOYSA-N
XLogP4.06
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5,6-dimethyl-2-(4-methylphenyl)benzimidazol-1-yl]acetic acid
CID 82145200
3-[2-(3-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]propan-1-ol
CID 94756196
2-[2-(3-chlorophenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]acetic acid
CID 82061437
2-[2-(4-aminophenyl)-5,6-dimethylbenzimidazol-1-yl]acetic acid
CID 71683625
2-[5,6-dimethyl-2-(trichloromethyl)benzimidazol-1-yl]acetic acid
CID 94748222
2-[6-(3-methylphenyl)-[1,3]dioxolo[4,5-f]benzimidazol-7-yl]acetic acid
CID 94748671
2-[3-(carboxymethylsulfanyl)-5-(3-chlorophenyl)-1,2,4-triazol-4-yl]acetic acid
CID 56694766
2-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)acetic acid
CID 62336744
2-[2-(3-methylphenyl)-5-propanoylbenzimidazol-1-yl]acetic acid
CID 94743154
2-(2-phenylbenzimidazol-1-yl)acetic acid
CID 619876
2-[5,6-dimethyl-2-(2-phenylethyl)benzimidazol-1-yl]acetic acid
CID 94748100
3-[5,6-dimethyl-2-(4-methylphenyl)benzimidazol-1-yl]propanoic acid
CID 94747971

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]acetic acid?
The IUPAC name of 2-[2-(3-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]acetic acid (CID 94748134) is 2-[2-(3-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-(3-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]acetic acid?
The canonical SMILES for 2-[2-(3-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]acetic acid is Cc1cc2nc(-c3cccc(Cl)c3)n(CC(=O)O)c2cc1C.
What is the InChIKey of 2-[2-(3-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]acetic acid?
The InChIKey is QOQQLBZQLSPGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-10-6-14-15(7-11(10)2)20(9-16(21)22)17(19-14)12-4-3-5-13(18)8-12/h3-8H,9H2,1-2H3,(H,21,22).
What are the key properties of 2-[2-(3-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]acetic acid?
2-[2-(3-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]acetic acid has a molecular weight of 314.77 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]acetic acid is sourced from PubChem (CID 94748134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).