N-[4-(trifluoromethoxy)phenyl]-3H-benzimidazole-5-carboxamide

C15H10F3N3O2 — CID 2226166

IUPACN-[4-(trifluoromethoxy)phenyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C15H10F3N3O2/c16-15(17,18)23-11-4-2-10(3-5-11)21-14(22)9-1-6-12-13(7-9)20-8-19-12/h1-8H,(H,19,20)(H,21,22)
InChIKeyMHSAFKYEYVQVEG-UHFFFAOYSA-N
MW321.26 g/mol
LogP3.71
Rot. Bonds3

About N-[4-(trifluoromethoxy)phenyl]-3H-benzimidazole-5-carboxamide

N-[4-(trifluoromethoxy)phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 2226166) has the molecular formula C15H10F3N3O2 and a molecular weight of 321.26 g/mol. Its IUPAC name is N-[4-(trifluoromethoxy)phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(trifluoromethoxy)phenyl]-3H-benzimidazole-5-carboxamide
PubChem CID2226166
Molecular FormulaC15H10F3N3O2
Molecular Weight321.26 g/mol
Exact Mass321.07
IUPAC NameN-[4-(trifluoromethoxy)phenyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C15H10F3N3O2/c16-15(17,18)23-11-4-2-10(3-5-11)21-14(22)9-1-6-12-13(7-9)20-8-19-12/h1-8H,(H,19,20)(H,21,22)
InChIKeyMHSAFKYEYVQVEG-UHFFFAOYSA-N
XLogP3.71
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.26
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3'-Methoxyphenyl) Benzimidazole-4-Carboxamide
CID 1511
2-(4-methoxyphenyl)-1H-1,3-benzodiazole-4-carboxamide
CID 10423087
2-(4-(piperidin-4-ylmethoxy)phenyl)-1H-benzo[d]imidazole-5-carboxamide
CID 11501187
2-{4-[(1-Benzylpiperidin-4-YL)methoxy]phenyl}-1H-benzimidazole-6-carboxamide
CID 11524997
Benzimidazole-urea, 47
CID 17755232
N-methyl-4-[(2-{[4-(trifluoromethyl)phenyl]amino}-1H-1,3-benzodiazol-5-yl)oxy]pyridine-2-carboxamide
CID 22040627
N-methyl-4-[(2-{[3-(trifluoromethyl)phenyl]amino}-1H-1,3-benzodiazol-5-yl)oxy]pyridine-2-carboxamide
CID 22041119
8-(1H-benzimidazole-4-carbonyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide
CID 72376211
N-1H-Benzimidazol-2-yl-4-methoxybenzamide
CID 2081294
N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide
CID 16279719
[1-(4-Methoxyphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone
CID 3474778
N-Cycloheptyl-1-(4-methoxyphenyl)-1H-1,3-benzodiazole-5-carboxamide
CID 4287729

Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethoxy)phenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[4-(trifluoromethoxy)phenyl]-3H-benzimidazole-5-carboxamide (CID 2226166) is N-[4-(trifluoromethoxy)phenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[4-(trifluoromethoxy)phenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[4-(trifluoromethoxy)phenyl]-3H-benzimidazole-5-carboxamide is O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-[4-(trifluoromethoxy)phenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is MHSAFKYEYVQVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O2/c16-15(17,18)23-11-4-2-10(3-5-11)21-14(22)9-1-6-12-13(7-9)20-8-19-12/h1-8H,(H,19,20)(H,21,22).
What are the key properties of N-[4-(trifluoromethoxy)phenyl]-3H-benzimidazole-5-carboxamide?
N-[4-(trifluoromethoxy)phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 321.26 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethoxy)phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 2226166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).