3-(3-chloro-2-fluorophenyl)-2-methylbenzimidazole-4-carboxylic acid

C15H10ClFN2O2 — CID 115932667

IUPAC3-(3-chloro-2-fluorophenyl)-2-methylbenzimidazole-4-carboxylic acid
SMILESCc1nc2cccc(C(=O)O)c2n1-c1cccc(Cl)c1F
InChIInChI=1S/C15H10ClFN2O2/c1-8-18-11-6-2-4-9(15(20)21)14(11)19(8)12-7-3-5-10(16)13(12)17/h2-7H,1H3,(H,20,21)
InChIKeyQNPSHUNUCVOMMS-UHFFFAOYSA-N
MW304.71 g/mol
LogP3.82
Rot. Bonds2

About 3-(3-chloro-2-fluorophenyl)-2-methylbenzimidazole-4-carboxylic acid

3-(3-chloro-2-fluorophenyl)-2-methylbenzimidazole-4-carboxylic acid (PubChem CID 115932667) has the molecular formula C15H10ClFN2O2 and a molecular weight of 304.71 g/mol. Its IUPAC name is 3-(3-chloro-2-fluorophenyl)-2-methylbenzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(3-chloro-2-fluorophenyl)-2-methylbenzimidazole-4-carboxylic acid
PubChem CID115932667
Molecular FormulaC15H10ClFN2O2
Molecular Weight304.71 g/mol
Exact Mass304.04
IUPAC Name3-(3-chloro-2-fluorophenyl)-2-methylbenzimidazole-4-carboxylic acid
SMILESCc1nc2cccc(C(=O)O)c2n1-c1cccc(Cl)c1F
InChIInChI=1S/C15H10ClFN2O2/c1-8-18-11-6-2-4-9(15(20)21)14(11)19(8)12-7-3-5-10(16)13(12)17/h2-7H,1H3,(H,20,21)
InChIKeyQNPSHUNUCVOMMS-UHFFFAOYSA-N
XLogP3.82
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.71
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chloro-4-fluorophenyl)-2-methylbenzimidazole-4-carboxylic acid
CID 115932773
3-(2-chloro-5-fluorophenyl)-2-methylbenzimidazole-4-carboxylic acid
CID 107530329
2-methyl-3-(2-methylphenyl)benzimidazole-4-carboxylic acid
CID 115932661
1-(3-chloro-2-fluorophenyl)-2-methylbenzimidazole-4-carboxylic acid
CID 115542746
1-(3-chloro-2-fluorophenyl)-5-methylpyrazole-4-carboxylic acid
CID 71255447
1-(3-chloro-2-fluorophenyl)-2,5-dimethylpyrrole-3-carboxylic acid
CID 28968682
3-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzimidazole-4-carboxylic acid
CID 107464237
3-(3-bromo-5-methylphenyl)-2-methylbenzimidazole-4-carboxylic acid
CID 107576710
CID 131876705
CID 131876705
1-(3-chloro-2-fluorophenyl)-5-methylpyrazole-3-carboxylic acid
CID 105421466
3-(2-cyclopropylethyl)-2-methylbenzimidazole-4-carboxylic acid
CID 112577362
2-methyl-3-(2-methylcyclopropyl)benzimidazole-4-carboxylic acid
CID 112577261

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-fluorophenyl)-2-methylbenzimidazole-4-carboxylic acid?
The IUPAC name of 3-(3-chloro-2-fluorophenyl)-2-methylbenzimidazole-4-carboxylic acid (CID 115932667) is 3-(3-chloro-2-fluorophenyl)-2-methylbenzimidazole-4-carboxylic acid.
What is the SMILES notation for 3-(3-chloro-2-fluorophenyl)-2-methylbenzimidazole-4-carboxylic acid?
The canonical SMILES for 3-(3-chloro-2-fluorophenyl)-2-methylbenzimidazole-4-carboxylic acid is Cc1nc2cccc(C(=O)O)c2n1-c1cccc(Cl)c1F.
What is the InChIKey of 3-(3-chloro-2-fluorophenyl)-2-methylbenzimidazole-4-carboxylic acid?
The InChIKey is QNPSHUNUCVOMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2O2/c1-8-18-11-6-2-4-9(15(20)21)14(11)19(8)12-7-3-5-10(16)13(12)17/h2-7H,1H3,(H,20,21).
What are the key properties of 3-(3-chloro-2-fluorophenyl)-2-methylbenzimidazole-4-carboxylic acid?
3-(3-chloro-2-fluorophenyl)-2-methylbenzimidazole-4-carboxylic acid has a molecular weight of 304.71 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-fluorophenyl)-2-methylbenzimidazole-4-carboxylic acid is sourced from PubChem (CID 115932667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).