2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide

C15H10F3N3O — CID 10852098

IUPAC2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(-c3cccc(C(F)(F)F)c3)nc12
InChIInChI=1S/C15H10F3N3O/c16-15(17,18)9-4-1-3-8(7-9)14-20-11-6-2-5-10(13(19)22)12(11)21-14/h1-7H,(H2,19,22)(H,20,21)
InChIKeyBWXFCEOBQGOLJF-UHFFFAOYSA-N
MW305.26 g/mol
LogP3.35
Rot. Bonds2

About 2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide

2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide (PubChem CID 10852098) has the molecular formula C15H10F3N3O and a molecular weight of 305.26 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide
PubChem CID10852098
Molecular FormulaC15H10F3N3O
Molecular Weight305.26 g/mol
Exact Mass305.08
IUPAC Name2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(-c3cccc(C(F)(F)F)c3)nc12
InChIInChI=1S/C15H10F3N3O/c16-15(17,18)9-4-1-3-8(7-9)14-20-11-6-2-5-10(13(19)22)12(11)21-14/h1-7H,(H2,19,22)(H,20,21)
InChIKeyBWXFCEOBQGOLJF-UHFFFAOYSA-N
XLogP3.35
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-phenyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide
CID 88946343
2-[3-(trifluoromethyl)phenyl]-1H-indole-4-carboxamide
CID 22014955
2-[3-(2-piperidin-1-ylethyl)phenyl]-1H-benzimidazole-4-carboxamide
CID 18676129
2-(3-methylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 63032812
2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]benzamide
CID 173180452
2-amino-1H-benzimidazole-4-carboxamide
CID 10442222
2-pyridin-2-yl-1H-benzimidazole-4-carboxamide
CID 5274836
2-[3-(trifluoromethyl)phenyl]-3H-benzimidazol-5-amine
CID 23085660
2-(2-methylphenyl)-1H-benzimidazole-4-carboxamide
CID 155676753
6-(trifluoromethyl)acridine-4-carboxamide
CID 174361443
5,6-difluoro-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole
CID 60980278
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CID 14207820

Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide (CID 10852098) is 2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide is NC(=O)c1cccc2[nH]c(-c3cccc(C(F)(F)F)c3)nc12.
What is the InChIKey of 2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide?
The InChIKey is BWXFCEOBQGOLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O/c16-15(17,18)9-4-1-3-8(7-9)14-20-11-6-2-5-10(13(19)22)12(11)21-14/h1-7H,(H2,19,22)(H,20,21).
What are the key properties of 2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide?
2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide has a molecular weight of 305.26 g/mol, XLogP of 3.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 10852098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).