1-(3-chloro-5-fluorophenyl)-2-methylbenzimidazole-4-carboxylic acid

C15H10ClFN2O2 — CID 107368789

IUPAC1-(3-chloro-5-fluorophenyl)-2-methylbenzimidazole-4-carboxylic acid
SMILESCc1nc2c(C(=O)O)cccc2n1-c1cc(F)cc(Cl)c1
InChIInChI=1S/C15H10ClFN2O2/c1-8-18-14-12(15(20)21)3-2-4-13(14)19(8)11-6-9(16)5-10(17)7-11/h2-7H,1H3,(H,20,21)
InChIKeyZSZJFMXLLOWJNA-UHFFFAOYSA-N
MW304.71 g/mol
LogP3.82
Rot. Bonds2

About 1-(3-chloro-5-fluorophenyl)-2-methylbenzimidazole-4-carboxylic acid

1-(3-chloro-5-fluorophenyl)-2-methylbenzimidazole-4-carboxylic acid (PubChem CID 107368789) has the molecular formula C15H10ClFN2O2 and a molecular weight of 304.71 g/mol. Its IUPAC name is 1-(3-chloro-5-fluorophenyl)-2-methylbenzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-chloro-5-fluorophenyl)-2-methylbenzimidazole-4-carboxylic acid
PubChem CID107368789
Molecular FormulaC15H10ClFN2O2
Molecular Weight304.71 g/mol
Exact Mass304.04
IUPAC Name1-(3-chloro-5-fluorophenyl)-2-methylbenzimidazole-4-carboxylic acid
SMILESCc1nc2c(C(=O)O)cccc2n1-c1cc(F)cc(Cl)c1
InChIInChI=1S/C15H10ClFN2O2/c1-8-18-14-12(15(20)21)3-2-4-13(14)19(8)11-6-9(16)5-10(17)7-11/h2-7H,1H3,(H,20,21)
InChIKeyZSZJFMXLLOWJNA-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

1-(3-chloro-2-fluorophenyl)-2-methylbenzimidazole-4-carboxylic acid
CID 115542746
1-(3-bromo-5-methylphenyl)-2-methylbenzimidazole-4-carboxylic acid
CID 107576711
1-(4-bromo-3-methylphenyl)-2-methylbenzimidazole-4-carboxylic acid
CID 115542830
1-(3-bromo-2-methylphenyl)-2-methylbenzimidazole-4-carboxylic acid
CID 107638219
2-methyl-1-(1-methylpyrazol-3-yl)benzimidazole-4-carboxylic acid
CID 115543895
3-(3-chloro-5-fluorophenyl)-2-oxo-1H-benzimidazole-4-carboxylic acid
CID 107366909
3-(2-chloro-4-fluorophenyl)-2-methylbenzimidazole-4-carboxylic acid
CID 115932773
2-(4-carboxy-1-methylbenzimidazol-2-yl)-1-methylbenzimidazole-4-carboxylic acid;platinum
CID 91868096
3-(2-chloro-5-fluorophenyl)-2-methylbenzimidazole-4-carboxylic acid
CID 107530329
2-methyl-1-[(1-methylcyclopropyl)methyl]benzimidazole-4-carboxylic acid
CID 114101514
1-(2,6-dichloro-4-fluorophenyl)benzotriazole-4-carboxylic acid
CID 83078777
[3-[2-methyl-4-(trifluoromethyl)benzimidazol-1-yl]phenyl] trifluoromethanesulfonate
CID 86650923

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-fluorophenyl)-2-methylbenzimidazole-4-carboxylic acid?
The IUPAC name of 1-(3-chloro-5-fluorophenyl)-2-methylbenzimidazole-4-carboxylic acid (CID 107368789) is 1-(3-chloro-5-fluorophenyl)-2-methylbenzimidazole-4-carboxylic acid.
What is the SMILES notation for 1-(3-chloro-5-fluorophenyl)-2-methylbenzimidazole-4-carboxylic acid?
The canonical SMILES for 1-(3-chloro-5-fluorophenyl)-2-methylbenzimidazole-4-carboxylic acid is Cc1nc2c(C(=O)O)cccc2n1-c1cc(F)cc(Cl)c1.
What is the InChIKey of 1-(3-chloro-5-fluorophenyl)-2-methylbenzimidazole-4-carboxylic acid?
The InChIKey is ZSZJFMXLLOWJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2O2/c1-8-18-14-12(15(20)21)3-2-4-13(14)19(8)11-6-9(16)5-10(17)7-11/h2-7H,1H3,(H,20,21).
What are the key properties of 1-(3-chloro-5-fluorophenyl)-2-methylbenzimidazole-4-carboxylic acid?
1-(3-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 1-(3-chloro-5-fluorophenyl)-2-methylbenzimidazole-4-carboxylic acid is sourced from PubChem (CID 107368789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).