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

C16H12F3N3O — CID 110701097

IUPAC2-methyl-N-[2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide
SMILESCc1nc2c(C(=O)Nc3ccccc3C(F)(F)F)cccc2[nH]1
InChIInChI=1S/C16H12F3N3O/c1-9-20-13-8-4-5-10(14(13)21-9)15(23)22-12-7-3-2-6-11(12)16(17,18)19/h2-8H,1H3,(H,20,21)(H,22,23)
InChIKeyFFVFUZVIGWDBTR-UHFFFAOYSA-N
MW319.29 g/mol
LogP4.14
Rot. Bonds2

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

2-methyl-N-[2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide (PubChem CID 110701097) has the molecular formula C16H12F3N3O and a molecular weight of 319.29 g/mol. Its IUPAC name is 2-methyl-N-[2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide
PubChem CID110701097
Molecular FormulaC16H12F3N3O
Molecular Weight319.29 g/mol
Exact Mass319.09
IUPAC Name2-methyl-N-[2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide
SMILESCc1nc2c(C(=O)Nc3ccccc3C(F)(F)F)cccc2[nH]1
InChIInChI=1S/C16H12F3N3O/c1-9-20-13-8-4-5-10(14(13)21-9)15(23)22-12-7-3-2-6-11(12)16(17,18)19/h2-8H,1H3,(H,20,21)(H,22,23)
InChIKeyFFVFUZVIGWDBTR-UHFFFAOYSA-N
XLogP4.14
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.29
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[(2-methyl-1H-benzimidazole-4-carbonyl)amino]benzoate
CID 110701106
2-methyl-N-phenyl-1H-benzimidazole-4-carboxamide
CID 110701067
N-(3-fluorophenyl)-2-methyl-1H-benzimidazole-4-carboxamide
CID 110701119
N-[2-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
CID 1278699
2-bromo-3-methyl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 103857081
2-[(3-methylbenzoyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 9172409
N-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-1H-benzimidazole-4-carboxamide
CID 110701135
methyl 2-[[2-(trifluoromethyl)phenyl]carbamoyl]benzoate
CID 108785392
methyl 4-chloro-3-[(2-methyl-1H-benzimidazole-4-carbonyl)amino]benzoate
CID 110701109
2-amino-5-methyl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 62511382
2,3-dimethyl-N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 110860798
N-(1H-indazol-6-yl)-2-methyl-1H-benzimidazole-4-carboxamide
CID 110701118

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-methyl-N-[2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide (CID 110701097) is 2-methyl-N-[2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-methyl-N-[2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide is Cc1nc2c(C(=O)Nc3ccccc3C(F)(F)F)cccc2[nH]1.
What is the InChIKey of 2-methyl-N-[2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide?
The InChIKey is FFVFUZVIGWDBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O/c1-9-20-13-8-4-5-10(14(13)21-9)15(23)22-12-7-3-2-6-11(12)16(17,18)19/h2-8H,1H3,(H,20,21)(H,22,23).
What are the key properties of 2-methyl-N-[2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide?
2-methyl-N-[2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide has a molecular weight of 319.29 g/mol, XLogP of 4.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 110701097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).