6-fluoro-2-(3-fluoro-5-methylphenyl)-1H-benzimidazole-4-carboxylic acid

C15H10F2N2O2 — CID 103436169

IUPAC6-fluoro-2-(3-fluoro-5-methylphenyl)-1H-benzimidazole-4-carboxylic acid
SMILESCc1cc(F)cc(-c2nc3c(C(=O)O)cc(F)cc3[nH]2)c1
InChIInChI=1S/C15H10F2N2O2/c1-7-2-8(4-9(16)3-7)14-18-12-6-10(17)5-11(15(20)21)13(12)19-14/h2-6H,1H3,(H,18,19)(H,20,21)
InChIKeyNGCIVTJMKBKOEK-UHFFFAOYSA-N
MW288.25 g/mol
LogP3.51
Rot. Bonds2

About 6-fluoro-2-(3-fluoro-5-methylphenyl)-1H-benzimidazole-4-carboxylic acid

6-fluoro-2-(3-fluoro-5-methylphenyl)-1H-benzimidazole-4-carboxylic acid (PubChem CID 103436169) has the molecular formula C15H10F2N2O2 and a molecular weight of 288.25 g/mol. Its IUPAC name is 6-fluoro-2-(3-fluoro-5-methylphenyl)-1H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-2-(3-fluoro-5-methylphenyl)-1H-benzimidazole-4-carboxylic acid
PubChem CID103436169
Molecular FormulaC15H10F2N2O2
Molecular Weight288.25 g/mol
Exact Mass288.07
IUPAC Name6-fluoro-2-(3-fluoro-5-methylphenyl)-1H-benzimidazole-4-carboxylic acid
SMILESCc1cc(F)cc(-c2nc3c(C(=O)O)cc(F)cc3[nH]2)c1
InChIInChI=1S/C15H10F2N2O2/c1-7-2-8(4-9(16)3-7)14-18-12-6-10(17)5-11(15(20)21)13(12)19-14/h2-6H,1H3,(H,18,19)(H,20,21)
InChIKeyNGCIVTJMKBKOEK-UHFFFAOYSA-N
XLogP3.51
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-2-(4-methylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 91318855
6-fluoro-2-(5-iodothiophen-3-yl)-1H-benzimidazole-4-carboxylic acid
CID 103436055
2-(2,4-dimethyl-1,3-oxazol-5-yl)-6-fluoro-1H-benzimidazole-4-carboxylic acid
CID 103435917
6-fluoro-2-(4-methyl-1,3-oxazol-5-yl)-1H-benzimidazole-4-carboxylic acid
CID 103436255
2-(5-chloro-2-fluorophenyl)-6-fluoro-1H-benzimidazole-4-carboxylic acid
CID 103435825
6-fluoro-2-(1-methylpyrazol-3-yl)-1H-benzimidazole-4-carboxylic acid
CID 136948243
2-(2-bromo-4-fluorophenyl)-6-fluoro-1H-benzimidazole-4-carboxylic acid
CID 103436100
2-(4-bromo-2-fluorophenyl)-6-fluoro-1H-benzimidazole-4-carboxylic acid
CID 103436111
2-(5-ethylfuran-2-yl)-6-fluoro-1H-benzimidazole-4-carboxylic acid
CID 103436113
6-fluoro-2-[(4-fluorophenyl)methyl]-1H-benzimidazole-4-carboxylic acid
CID 103435877
2-(3-methylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 63032812
2-(5-bromo-2-chlorophenyl)-6-fluoro-1H-benzimidazole-4-carboxylic acid
CID 103435950

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(3-fluoro-5-methylphenyl)-1H-benzimidazole-4-carboxylic acid?
The IUPAC name of 6-fluoro-2-(3-fluoro-5-methylphenyl)-1H-benzimidazole-4-carboxylic acid (CID 103436169) is 6-fluoro-2-(3-fluoro-5-methylphenyl)-1H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for 6-fluoro-2-(3-fluoro-5-methylphenyl)-1H-benzimidazole-4-carboxylic acid?
The canonical SMILES for 6-fluoro-2-(3-fluoro-5-methylphenyl)-1H-benzimidazole-4-carboxylic acid is Cc1cc(F)cc(-c2nc3c(C(=O)O)cc(F)cc3[nH]2)c1.
What is the InChIKey of 6-fluoro-2-(3-fluoro-5-methylphenyl)-1H-benzimidazole-4-carboxylic acid?
The InChIKey is NGCIVTJMKBKOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O2/c1-7-2-8(4-9(16)3-7)14-18-12-6-10(17)5-11(15(20)21)13(12)19-14/h2-6H,1H3,(H,18,19)(H,20,21).
What are the key properties of 6-fluoro-2-(3-fluoro-5-methylphenyl)-1H-benzimidazole-4-carboxylic acid?
6-fluoro-2-(3-fluoro-5-methylphenyl)-1H-benzimidazole-4-carboxylic acid has a molecular weight of 288.25 g/mol, XLogP of 3.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(3-fluoro-5-methylphenyl)-1H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 103436169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).