3-(2-chloro-5-fluorophenyl)-2-methylbenzimidazole-4-carboxylic acid

C15H10ClFN2O2 — CID 107530329

IUPAC3-(2-chloro-5-fluorophenyl)-2-methylbenzimidazole-4-carboxylic acid
SMILESCc1nc2cccc(C(=O)O)c2n1-c1cc(F)ccc1Cl
InChIInChI=1S/C15H10ClFN2O2/c1-8-18-12-4-2-3-10(15(20)21)14(12)19(8)13-7-9(17)5-6-11(13)16/h2-7H,1H3,(H,20,21)
InChIKeyDUKISJSOFYNEQD-UHFFFAOYSA-N
MW304.71 g/mol
LogP3.82
Rot. Bonds2

About 3-(2-chloro-5-fluorophenyl)-2-methylbenzimidazole-4-carboxylic acid

3-(2-chloro-5-fluorophenyl)-2-methylbenzimidazole-4-carboxylic acid (PubChem CID 107530329) has the molecular formula C15H10ClFN2O2 and a molecular weight of 304.71 g/mol. Its IUPAC name is 3-(2-chloro-5-fluorophenyl)-2-methylbenzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(2-chloro-5-fluorophenyl)-2-methylbenzimidazole-4-carboxylic acid
PubChem CID107530329
Molecular FormulaC15H10ClFN2O2
Molecular Weight304.71 g/mol
Exact Mass304.04
IUPAC Name3-(2-chloro-5-fluorophenyl)-2-methylbenzimidazole-4-carboxylic acid
SMILESCc1nc2cccc(C(=O)O)c2n1-c1cc(F)ccc1Cl
InChIInChI=1S/C15H10ClFN2O2/c1-8-18-12-4-2-3-10(15(20)21)14(12)19(8)13-7-9(17)5-6-11(13)16/h2-7H,1H3,(H,20,21)
InChIKeyDUKISJSOFYNEQD-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-(3-chloro-2-fluorophenyl)-2-methylbenzimidazole-4-carboxylic acid
CID 115932667
2-methyl-3-(2-methylphenyl)benzimidazole-4-carboxylic acid
CID 115932661
3-(3-bromo-5-methylphenyl)-2-methylbenzimidazole-4-carboxylic acid
CID 107576710
1-(3-chloro-2-fluorophenyl)-2-methylbenzimidazole-4-carboxylic acid
CID 115542746
3-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzimidazole-4-carboxylic acid
CID 107464237
1-(3-chloro-5-fluorophenyl)-2-methylbenzimidazole-4-carboxylic acid
CID 107368789
2-(5-fluoro-3-pyridinyl)-3-methylbenzimidazole-4-carboxylic acid
CID 121458679
3-(2,3-dimethylbutyl)-2-methylbenzimidazole-4-carboxylic acid
CID 112577342
2-methyl-3-(2-methylcyclopropyl)benzimidazole-4-carboxylic acid
CID 112577261
5-chloro-2-methoxy-4-(2-methylimidazo[4,5-b]pyridin-3-yl)benzoic acid
CID 20887875
3-(4-fluoro-2-iodophenyl)benzimidazole-4-carboxylic acid
CID 115933592

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-5-fluorophenyl)-2-methylbenzimidazole-4-carboxylic acid?
The IUPAC name of 3-(2-chloro-5-fluorophenyl)-2-methylbenzimidazole-4-carboxylic acid (CID 107530329) is 3-(2-chloro-5-fluorophenyl)-2-methylbenzimidazole-4-carboxylic acid.
What is the SMILES notation for 3-(2-chloro-5-fluorophenyl)-2-methylbenzimidazole-4-carboxylic acid?
The canonical SMILES for 3-(2-chloro-5-fluorophenyl)-2-methylbenzimidazole-4-carboxylic acid is Cc1nc2cccc(C(=O)O)c2n1-c1cc(F)ccc1Cl.
What is the InChIKey of 3-(2-chloro-5-fluorophenyl)-2-methylbenzimidazole-4-carboxylic acid?
The InChIKey is DUKISJSOFYNEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2O2/c1-8-18-12-4-2-3-10(15(20)21)14(12)19(8)13-7-9(17)5-6-11(13)16/h2-7H,1H3,(H,20,21).
What are the key properties of 3-(2-chloro-5-fluorophenyl)-2-methylbenzimidazole-4-carboxylic acid?
3-(2-chloro-5-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-(2-chloro-5-fluorophenyl)-2-methylbenzimidazole-4-carboxylic acid is sourced from PubChem (CID 107530329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).