2-[4-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxylic acid

C15H9F3N2O2 — CID 22097796

IUPAC2-[4-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3ccc(C(F)(F)F)cc3)[nH]c2c1
InChIInChI=1S/C15H9F3N2O2/c16-15(17,18)10-4-1-8(2-5-10)13-19-11-6-3-9(14(21)22)7-12(11)20-13/h1-7H,(H,19,20)(H,21,22)
InChIKeySXYPSWPGAQHHTA-UHFFFAOYSA-N
MW306.24 g/mol
LogP3.95
Rot. Bonds2

About 2-[4-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxylic acid

2-[4-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxylic acid (PubChem CID 22097796) has the molecular formula C15H9F3N2O2 and a molecular weight of 306.24 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxylic acid
PubChem CID22097796
Molecular FormulaC15H9F3N2O2
Molecular Weight306.24 g/mol
Exact Mass306.06
IUPAC Name2-[4-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3ccc(C(F)(F)F)cc3)[nH]c2c1
InChIInChI=1S/C15H9F3N2O2/c16-15(17,18)10-4-1-8(2-5-10)13-19-11-6-3-9(14(21)22)7-12(11)20-13/h1-7H,(H,19,20)(H,21,22)
InChIKeySXYPSWPGAQHHTA-UHFFFAOYSA-N
XLogP3.95
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-hydroxy-2-[4-[4-(trifluoromethyl)phenyl]phenyl]-3H-benzimidazole-5-carboxamide
CID 122690134
2-pyridin-4-yl-3H-benzimidazole-5-carboxylic acid
CID 2771800
2-(4-hydroxyphenyl)-3H-benzimidazole-5-carboxylic acid
CID 162148176
2-(4-aminophenyl)-3H-benzimidazole-5-carboxylic acid
CID 774873
4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 71731138
4-[6-[2-(4-carboxyphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoic acid
CID 1211927
2-[3-(6-carboxy-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-carboxylic acid;hydrochloride
CID 2728750
N-propan-2-yl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzamide
CID 4915116
2-(4-nitrophenyl)-3H-benzimidazole-5-carboxylic acid
CID 10612945
2-(2-methyl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboxylic acid
CID 71243393
N'-hydroxy-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzenecarboximidamide
CID 137187151
N-(2-hydroxyethyl)-4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 71731266

Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxylic acid?
The IUPAC name of 2-[4-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxylic acid (CID 22097796) is 2-[4-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-[4-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxylic acid is O=C(O)c1ccc2nc(-c3ccc(C(F)(F)F)cc3)[nH]c2c1.
What is the InChIKey of 2-[4-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxylic acid?
The InChIKey is SXYPSWPGAQHHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2O2/c16-15(17,18)10-4-1-8(2-5-10)13-19-11-6-3-9(14(21)22)7-12(11)20-13/h1-7H,(H,19,20)(H,21,22).
What are the key properties of 2-[4-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxylic acid?
2-[4-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxylic acid has a molecular weight of 306.24 g/mol, XLogP of 3.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxylic acid is sourced from PubChem (CID 22097796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).