N-(2-methyltriazol-4-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide

C15H13F3N6O — CID 53325505

IUPACN-(2-methyltriazol-4-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide
SMILESCn1ncc(NC(=O)c2cn(Cc3cccc(C(F)(F)F)c3)cn2)n1
InChIInChI=1S/C15H13F3N6O/c1-23-20-6-13(22-23)21-14(25)12-8-24(9-19-12)7-10-3-2-4-11(5-10)15(16,17)18/h2-6,8-9H,7H2,1H3,(H,21,22,25)
InChIKeyXWXJCCLNDUXMPC-UHFFFAOYSA-N
MW350.30 g/mol
LogP2.33
Rot. Bonds4

About N-(2-methyltriazol-4-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide

N-(2-methyltriazol-4-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide (PubChem CID 53325505) has the molecular formula C15H13F3N6O and a molecular weight of 350.30 g/mol. Its IUPAC name is N-(2-methyltriazol-4-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methyltriazol-4-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide
PubChem CID53325505
Molecular FormulaC15H13F3N6O
Molecular Weight350.30 g/mol
Exact Mass350.11
IUPAC NameN-(2-methyltriazol-4-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide
SMILESCn1ncc(NC(=O)c2cn(Cc3cccc(C(F)(F)F)c3)cn2)n1
InChIInChI=1S/C15H13F3N6O/c1-23-20-6-13(22-23)21-14(25)12-8-24(9-19-12)7-10-3-2-4-11(5-10)15(16,17)18/h2-6,8-9H,7H2,1H3,(H,21,22,25)
InChIKeyXWXJCCLNDUXMPC-UHFFFAOYSA-N
XLogP2.33
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[3-(2,2-Difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 122510927
SCD1 inhibitor-4
CID 51346908
US9884868, Example 206''
CID 122510455
US9884868, Example 137''
CID 122510968
1-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 165415256
1-(4-fluorobenzyl)-N-[3-(1H-imidazol-1-yl)propyl]-1H-1,2,3-triazole-4-carboxamide
CID 647193
1-(1-Phenyl-ethyl)-1H-[1,2,3]triazole-4-carboxylic acid (3-imidazol-1-yl-propyl)-amide
CID 656039
N-(1-methyl-1H-pyrazol-3-yl)-1-(3-(trifluoromethyl)benzyl)-1H-imidazole-4-carboxamide
CID 51346909
1-(4-chloro-3-(trifluoromethyl)benzyl)-N-(1-methyl-1H-pyrazol-3-yl)-1H-imidazole-4-carboxamide
CID 51346910
1-(4-chloro-3-(trifluoromethyl)benzyl)-N-(1-methyl-1H-1,2,4-triazol-3-yl)-1H-imidazole-4-carboxamide
CID 53321552
1-(2-chlorophenethyl)-N-(1-methyl-1H-pyrazol-3-yl)-1H-imidazole-4-carboxamide
CID 53321553
1-(3-chlorobenzyl)-N-(1-methyl-1H-pyrazol-3-yl)-1H-imidazole-4-carboxamide
CID 53324214

Frequently Asked Questions

What is the IUPAC name of N-(2-methyltriazol-4-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide?
The IUPAC name of N-(2-methyltriazol-4-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide (CID 53325505) is N-(2-methyltriazol-4-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide.
What is the SMILES notation for N-(2-methyltriazol-4-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide?
The canonical SMILES for N-(2-methyltriazol-4-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide is Cn1ncc(NC(=O)c2cn(Cc3cccc(C(F)(F)F)c3)cn2)n1.
What is the InChIKey of N-(2-methyltriazol-4-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide?
The InChIKey is XWXJCCLNDUXMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N6O/c1-23-20-6-13(22-23)21-14(25)12-8-24(9-19-12)7-10-3-2-4-11(5-10)15(16,17)18/h2-6,8-9H,7H2,1H3,(H,21,22,25).
What are the key properties of N-(2-methyltriazol-4-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide?
N-(2-methyltriazol-4-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide has a molecular weight of 350.30 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyltriazol-4-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide is sourced from PubChem (CID 53325505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).