1-benzyl-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]triazole-4-carboxamide

C21H20N6O — CID 166215914

IUPAC1-benzyl-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]triazole-4-carboxamide
SMILESCc1ncn(-c2ccc(NC(=O)c3cn(Cc4ccccc4)nn3)cc2)c1C
InChIInChI=1S/C21H20N6O/c1-15-16(2)27(14-22-15)19-10-8-18(9-11-19)23-21(28)20-13-26(25-24-20)12-17-6-4-3-5-7-17/h3-11,13-14H,12H2,1-2H3,(H,23,28)
InChIKeyRAZOXENUXGDXTQ-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.38
Rot. Bonds5

About 1-benzyl-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]triazole-4-carboxamide

1-benzyl-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]triazole-4-carboxamide (PubChem CID 166215914) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is 1-benzyl-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]triazole-4-carboxamide
PubChem CID166215914
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC Name1-benzyl-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]triazole-4-carboxamide
SMILESCc1ncn(-c2ccc(NC(=O)c3cn(Cc4ccccc4)nn3)cc2)c1C
InChIInChI=1S/C21H20N6O/c1-15-16(2)27(14-22-15)19-10-8-18(9-11-19)23-21(28)20-13-26(25-24-20)12-17-6-4-3-5-7-17/h3-11,13-14H,12H2,1-2H3,(H,23,28)
InChIKeyRAZOXENUXGDXTQ-UHFFFAOYSA-N
XLogP3.38
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-(2-hydroxyethyl)triazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 166278311
1-benzyl-N-[4-(4-methylpiperazin-1-yl)phenyl]triazole-4-carboxamide
CID 31868782
1-benzyl-N-[4-(cyanomethoxy)phenyl]triazole-4-carboxamide
CID 31867870
1-benzyl-N-[4-(cyanomethyl)phenyl]triazole-4-carboxamide
CID 134046112
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]furan-2-carboxamide
CID 166215878
1-benzyl-N-[4-(sulfamoylmethyl)phenyl]triazole-4-carboxamide
CID 24684976
1-benzyl-N-(3-chloro-4-fluorophenyl)triazole-4-carboxamide
CID 18146618
1-benzyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)triazole-4-carboxamide
CID 18152907
4-(2-amino-2-oxoethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]benzamide
CID 166327124
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-4-ethyl-1,3-oxazole-5-carboxamide
CID 166340631
1-benzyl-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]triazole-4-carboxamide
CID 31031199
1-benzyl-N-(2,3-dimethylphenyl)triazole-4-carboxamide
CID 18146607

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]triazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]triazole-4-carboxamide (CID 166215914) is 1-benzyl-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]triazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]triazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]triazole-4-carboxamide is Cc1ncn(-c2ccc(NC(=O)c3cn(Cc4ccccc4)nn3)cc2)c1C.
What is the InChIKey of 1-benzyl-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]triazole-4-carboxamide?
The InChIKey is RAZOXENUXGDXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c1-15-16(2)27(14-22-15)19-10-8-18(9-11-19)23-21(28)20-13-26(25-24-20)12-17-6-4-3-5-7-17/h3-11,13-14H,12H2,1-2H3,(H,23,28).
What are the key properties of 1-benzyl-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]triazole-4-carboxamide?
1-benzyl-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]triazole-4-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]triazole-4-carboxamide is sourced from PubChem (CID 166215914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).