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

C15H11FN2O2 — CID 46990564

IUPAC2-(2-fluoro-5-methylphenyl)-3H-benzimidazole-5-carboxylic acid
SMILESCc1ccc(F)c(-c2nc3ccc(C(=O)O)cc3[nH]2)c1
InChIInChI=1S/C15H11FN2O2/c1-8-2-4-11(16)10(6-8)14-17-12-5-3-9(15(19)20)7-13(12)18-14/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyKKDFNFRUTSGVHZ-UHFFFAOYSA-N
MW270.26 g/mol
LogP3.38
Rot. Bonds2

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

2-(2-fluoro-5-methylphenyl)-3H-benzimidazole-5-carboxylic acid (PubChem CID 46990564) has the molecular formula C15H11FN2O2 and a molecular weight of 270.26 g/mol. Its IUPAC name is 2-(2-fluoro-5-methylphenyl)-3H-benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-fluoro-5-methylphenyl)-3H-benzimidazole-5-carboxylic acid
PubChem CID46990564
Molecular FormulaC15H11FN2O2
Molecular Weight270.26 g/mol
Exact Mass270.08
IUPAC Name2-(2-fluoro-5-methylphenyl)-3H-benzimidazole-5-carboxylic acid
SMILESCc1ccc(F)c(-c2nc3ccc(C(=O)O)cc3[nH]2)c1
InChIInChI=1S/C15H11FN2O2/c1-8-2-4-11(16)10(6-8)14-17-12-5-3-9(15(19)20)7-13(12)18-14/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyKKDFNFRUTSGVHZ-UHFFFAOYSA-N
XLogP3.38
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylsulfanylphenyl)-3H-benzimidazole-5-carboxylic acid
CID 79217746
5,6-dichloro-2-(2-fluoro-5-methylphenyl)-1H-benzimidazole
CID 82003782
2-(4-fluoro-3-methoxyphenyl)-3H-benzimidazole-5-carboxylic acid
CID 81288878
2-(2-methyl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboxylic acid
CID 71243393
2-(4-aminophenyl)-3H-benzimidazole-5-carboxylic acid
CID 774873
2-(2,3-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid
CID 43349288
2-[3-(6-carboxy-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-carboxylic acid;hydrochloride
CID 2728750
2-[2-(1H-imidazol-2-yl)phenyl]-3H-benzimidazole-5-carboxylic acid
CID 11738240
2-(5-fluoro-2-pyridinyl)-3H-benzimidazole-5-carboxylic acid
CID 104639134
2-(3-carboxy-2,5-dihydroxyphenyl)-3H-benzimidazole-5-carboxylic acid
CID 156760820
2-(2,3-dimethoxyphenyl)-3H-benzimidazole-5-carboxylic acid
CID 26370419
2-(2,5-dimethoxyphenyl)-3H-benzimidazole-5-carboxylic acid
CID 26370448

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-5-methylphenyl)-3H-benzimidazole-5-carboxylic acid?
The IUPAC name of 2-(2-fluoro-5-methylphenyl)-3H-benzimidazole-5-carboxylic acid (CID 46990564) is 2-(2-fluoro-5-methylphenyl)-3H-benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-(2-fluoro-5-methylphenyl)-3H-benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-(2-fluoro-5-methylphenyl)-3H-benzimidazole-5-carboxylic acid is Cc1ccc(F)c(-c2nc3ccc(C(=O)O)cc3[nH]2)c1.
What is the InChIKey of 2-(2-fluoro-5-methylphenyl)-3H-benzimidazole-5-carboxylic acid?
The InChIKey is KKDFNFRUTSGVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2/c1-8-2-4-11(16)10(6-8)14-17-12-5-3-9(15(19)20)7-13(12)18-14/h2-7H,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-(2-fluoro-5-methylphenyl)-3H-benzimidazole-5-carboxylic acid?
2-(2-fluoro-5-methylphenyl)-3H-benzimidazole-5-carboxylic acid has a molecular weight of 270.26 g/mol, XLogP of 3.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-5-methylphenyl)-3H-benzimidazole-5-carboxylic acid is sourced from PubChem (CID 46990564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).