1-methyl-N-[2-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide

C16H12F3N3O — CID 110692630

IUPAC1-methyl-N-[2-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide
SMILESCn1cnc2cc(C(=O)Nc3ccccc3C(F)(F)F)ccc21
InChIInChI=1S/C16H12F3N3O/c1-22-9-20-13-8-10(6-7-14(13)22)15(23)21-12-5-3-2-4-11(12)16(17,18)19/h2-9H,1H3,(H,21,23)
InChIKeyRYBGYPDNAOEGAN-UHFFFAOYSA-N
MW319.29 g/mol
LogP3.84
Rot. Bonds2

About 1-methyl-N-[2-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide

1-methyl-N-[2-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide (PubChem CID 110692630) has the molecular formula C16H12F3N3O and a molecular weight of 319.29 g/mol. Its IUPAC name is 1-methyl-N-[2-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide
PubChem CID110692630
Molecular FormulaC16H12F3N3O
Molecular Weight319.29 g/mol
Exact Mass319.09
IUPAC Name1-methyl-N-[2-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide
SMILESCn1cnc2cc(C(=O)Nc3ccccc3C(F)(F)F)ccc21
InChIInChI=1S/C16H12F3N3O/c1-22-9-20-13-8-10(6-7-14(13)22)15(23)21-12-5-3-2-4-11(12)16(17,18)19/h2-9H,1H3,(H,21,23)
InChIKeyRYBGYPDNAOEGAN-UHFFFAOYSA-N
XLogP3.84
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.29
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methylbenzimidazol-5-yl)-4-(trifluoromethyl)benzamide
CID 110728545
N-(3,5-dichlorophenyl)-1-methylbenzimidazole-5-carboxamide
CID 100775867
4-hydroxy-3-methyl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 107676526
6-methoxy-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 84580545
N-benzhydryl-1-methylbenzimidazole-5-carboxamide
CID 100775960
4-N-(2-methylphenyl)-2-N-[2-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109091026
2-methyl-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 110691495
N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide;hydrochloride
CID 110756505
1-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzimidazole-5-carboxamide
CID 110469081
1-[2-[5-(pyrrolidine-1-carbonyl)benzimidazol-1-yl]ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 20974870
6-(methylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 62186448
1-(1-methylbenzimidazol-5-yl)ethanone
CID 39103959

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[2-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide (CID 110692630) is 1-methyl-N-[2-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[2-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide is Cn1cnc2cc(C(=O)Nc3ccccc3C(F)(F)F)ccc21.
What is the InChIKey of 1-methyl-N-[2-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide?
The InChIKey is RYBGYPDNAOEGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O/c1-22-9-20-13-8-10(6-7-14(13)22)15(23)21-12-5-3-2-4-11(12)16(17,18)19/h2-9H,1H3,(H,21,23).
What are the key properties of 1-methyl-N-[2-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide?
1-methyl-N-[2-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide has a molecular weight of 319.29 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 110692630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).