N-(2-methoxyphenyl)-1-methyl-2-(trifluoromethyl)benzimidazole-5-carboxamide

C17H14F3N3O2 — CID 75422212

IUPACN-(2-methoxyphenyl)-1-methyl-2-(trifluoromethyl)benzimidazole-5-carboxamide
SMILESCOc1ccccc1NC(=O)c1ccc2c(c1)nc(C(F)(F)F)n2C
InChIInChI=1S/C17H14F3N3O2/c1-23-13-8-7-10(9-12(13)22-16(23)17(18,19)20)15(24)21-11-5-3-4-6-14(11)25-2/h3-9H,1-2H3,(H,21,24)
InChIKeyPHQDOKKZIYVNBU-UHFFFAOYSA-N
MW349.31 g/mol
LogP3.85
Rot. Bonds3

About N-(2-methoxyphenyl)-1-methyl-2-(trifluoromethyl)benzimidazole-5-carboxamide

N-(2-methoxyphenyl)-1-methyl-2-(trifluoromethyl)benzimidazole-5-carboxamide (PubChem CID 75422212) has the molecular formula C17H14F3N3O2 and a molecular weight of 349.31 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-1-methyl-2-(trifluoromethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-1-methyl-2-(trifluoromethyl)benzimidazole-5-carboxamide
PubChem CID75422212
Molecular FormulaC17H14F3N3O2
Molecular Weight349.31 g/mol
Exact Mass349.10
IUPAC NameN-(2-methoxyphenyl)-1-methyl-2-(trifluoromethyl)benzimidazole-5-carboxamide
SMILESCOc1ccccc1NC(=O)c1ccc2c(c1)nc(C(F)(F)F)n2C
InChIInChI=1S/C17H14F3N3O2/c1-23-13-8-7-10(9-12(13)22-16(23)17(18,19)20)15(24)21-11-5-3-4-6-14(11)25-2/h3-9H,1-2H3,(H,21,24)
InChIKeyPHQDOKKZIYVNBU-UHFFFAOYSA-N
XLogP3.85
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzotriazole-5-carboxamide
CID 41369673
3-bromo-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 41369739
N-[2-(dimethylcarbamoyl)phenyl]-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide
CID 86955511
3-hydroxy-4-methoxy-N-(2-methoxyphenyl)benzamide
CID 79600198
4-[(4-fluorobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 2677066
N-(2-methoxyphenyl)-2-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 8873512
N-(2-methoxyphenyl)-4-[[4-(trifluoromethoxy)benzoyl]amino]benzamide
CID 26522670
1-methyl-N-[2-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide
CID 110692630
1-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]-3-(2-methoxyphenyl)thiourea
CID 2328625
1-ethyl-N-[2-(trifluoromethoxy)phenyl]benzotriazole-5-carboxamide
CID 27298510
1-[1-[(2-fluoro-3-methoxyphenyl)methyl]-2-(trifluoromethyl)benzimidazol-5-yl]ethanone
CID 163540483
1,2-dimethyl-N-phenylbenzimidazole-5-carboxamide
CID 110765831

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-1-methyl-2-(trifluoromethyl)benzimidazole-5-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-1-methyl-2-(trifluoromethyl)benzimidazole-5-carboxamide (CID 75422212) is N-(2-methoxyphenyl)-1-methyl-2-(trifluoromethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-1-methyl-2-(trifluoromethyl)benzimidazole-5-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-1-methyl-2-(trifluoromethyl)benzimidazole-5-carboxamide is COc1ccccc1NC(=O)c1ccc2c(c1)nc(C(F)(F)F)n2C.
What is the InChIKey of N-(2-methoxyphenyl)-1-methyl-2-(trifluoromethyl)benzimidazole-5-carboxamide?
The InChIKey is PHQDOKKZIYVNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O2/c1-23-13-8-7-10(9-12(13)22-16(23)17(18,19)20)15(24)21-11-5-3-4-6-14(11)25-2/h3-9H,1-2H3,(H,21,24).
What are the key properties of N-(2-methoxyphenyl)-1-methyl-2-(trifluoromethyl)benzimidazole-5-carboxamide?
N-(2-methoxyphenyl)-1-methyl-2-(trifluoromethyl)benzimidazole-5-carboxamide has a molecular weight of 349.31 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-1-methyl-2-(trifluoromethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 75422212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).