N-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide

C17H14F3N3O2 — CID 71690232

IUPACN-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc3nc(C(F)(F)F)[nH]c3c2)cc1
InChIInChI=1S/C17H14F3N3O2/c1-25-12-5-2-10(3-6-12)9-21-15(24)11-4-7-13-14(8-11)23-16(22-13)17(18,19)20/h2-8H,9H2,1H3,(H,21,24)(H,22,23)
InChIKeyGOEYCUZDFOQWRE-UHFFFAOYSA-N
MW349.31 g/mol
LogP3.52
Rot. Bonds4

About N-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide

N-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide (PubChem CID 71690232) has the molecular formula C17H14F3N3O2 and a molecular weight of 349.31 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide
PubChem CID71690232
Molecular FormulaC17H14F3N3O2
Molecular Weight349.31 g/mol
Exact Mass349.10
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc3nc(C(F)(F)F)[nH]c3c2)cc1
InChIInChI=1S/C17H14F3N3O2/c1-25-12-5-2-10(3-6-12)9-21-15(24)11-4-7-13-14(8-11)23-16(22-13)17(18,19)20/h2-8H,9H2,1H3,(H,21,24)(H,22,23)
InChIKeyGOEYCUZDFOQWRE-UHFFFAOYSA-N
XLogP3.52
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide
CID 46977763
4-methoxy-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzamide
CID 45494073
N-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)benzamide
CID 4149542
N-[(4-methoxyphenyl)methyl]-1H-indazole-6-carboxamide
CID 46341632
N-[(4-methoxyphenyl)methyl]naphthalene-2-carboxamide
CID 883831
1-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]ethanone
CID 83450578
N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide
CID 175710035
2-ethyl-N-[(4-methylphenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 110765518
3,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 789214
N-(5-methyl-1,2-oxazol-3-yl)-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide
CID 71689923
4-[[[2-(difluoromethyl)-3H-benzimidazole-5-carbonyl]amino]methyl]benzoic acid
CID 154862991
N-[(4-fluorophenyl)methyl]-2-[(Z)-2-hydroxy-2-(3-methoxyphenyl)ethenyl]-3-oxo-4H-quinoxaline-6-carboxamide
CID 135949220

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide (CID 71690232) is N-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide is COc1ccc(CNC(=O)c2ccc3nc(C(F)(F)F)[nH]c3c2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is GOEYCUZDFOQWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O2/c1-25-12-5-2-10(3-6-12)9-21-15(24)11-4-7-13-14(8-11)23-16(22-13)17(18,19)20/h2-8H,9H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide?
N-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 349.31 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 71690232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).