3-[4-(3-methylimidazol-4-yl)triazol-1-yl]-N-(3-methylphenyl)benzamide

C20H18N6O — CID 146293961

IUPAC3-[4-(3-methylimidazol-4-yl)triazol-1-yl]-N-(3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2cccc(-n3cc(-c4cncn4C)nn3)c2)c1
InChIInChI=1S/C20H18N6O/c1-14-5-3-7-16(9-14)22-20(27)15-6-4-8-17(10-15)26-12-18(23-24-26)19-11-21-13-25(19)2/h3-13H,1-2H3,(H,22,27)
InChIKeyGMHLDODISHFXDZ-UHFFFAOYSA-N
MW358.41 g/mol
LogP3.23
Rot. Bonds4

About 3-[4-(3-methylimidazol-4-yl)triazol-1-yl]-N-(3-methylphenyl)benzamide

3-[4-(3-methylimidazol-4-yl)triazol-1-yl]-N-(3-methylphenyl)benzamide (PubChem CID 146293961) has the molecular formula C20H18N6O and a molecular weight of 358.41 g/mol. Its IUPAC name is 3-[4-(3-methylimidazol-4-yl)triazol-1-yl]-N-(3-methylphenyl)benzamide.

Molecular Properties

Compound Name3-[4-(3-methylimidazol-4-yl)triazol-1-yl]-N-(3-methylphenyl)benzamide
PubChem CID146293961
Molecular FormulaC20H18N6O
Molecular Weight358.41 g/mol
Exact Mass358.15
IUPAC Name3-[4-(3-methylimidazol-4-yl)triazol-1-yl]-N-(3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2cccc(-n3cc(-c4cncn4C)nn3)c2)c1
InChIInChI=1S/C20H18N6O/c1-14-5-3-7-16(9-14)22-20(27)15-6-4-8-17(10-15)26-12-18(23-24-26)19-11-21-13-25(19)2/h3-13H,1-2H3,(H,22,27)
InChIKeyGMHLDODISHFXDZ-UHFFFAOYSA-N
XLogP3.23
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(3-methylimidazol-4-yl)triazol-1-yl]-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]benzamide
CID 146294026
N-[3-(difluoromethoxy)phenyl]-3-[4-(3-methylimidazol-4-yl)triazol-1-yl]benzamide;3-[4-(3-methylimidazol-4-yl)triazol-1-yl]-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]benzamide
CID 158951052
ethane;3-methyl-N-pyridin-3-ylbenzamide
CID 145409327
N-(3-acetylphenyl)-3-(tetrazol-1-yl)benzamide
CID 862153
3-[4-[(3-methylphenyl)carbamoylamino]pyrazol-1-yl]benzamide
CID 117076261
1-(3-methylphenyl)-N-[3-(1,2,4-triazol-4-yl)phenyl]triazole-4-carboxamide
CID 71880566
N-(4-bromo-3-methylphenyl)-3-(tetrazol-1-yl)benzamide
CID 26363553
N-(3-methylphenyl)-3-phenylimidazole-4-carboxamide
CID 27166887
1-methyl-N-(3-methylphenyl)pyrrole-3-carboxamide
CID 110762711
1-N-methyl-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 58018070
N-(3-methylphenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109225773
3-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]benzamide
CID 47051399

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-methylimidazol-4-yl)triazol-1-yl]-N-(3-methylphenyl)benzamide?
The IUPAC name of 3-[4-(3-methylimidazol-4-yl)triazol-1-yl]-N-(3-methylphenyl)benzamide (CID 146293961) is 3-[4-(3-methylimidazol-4-yl)triazol-1-yl]-N-(3-methylphenyl)benzamide.
What is the SMILES notation for 3-[4-(3-methylimidazol-4-yl)triazol-1-yl]-N-(3-methylphenyl)benzamide?
The canonical SMILES for 3-[4-(3-methylimidazol-4-yl)triazol-1-yl]-N-(3-methylphenyl)benzamide is Cc1cccc(NC(=O)c2cccc(-n3cc(-c4cncn4C)nn3)c2)c1.
What is the InChIKey of 3-[4-(3-methylimidazol-4-yl)triazol-1-yl]-N-(3-methylphenyl)benzamide?
The InChIKey is GMHLDODISHFXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O/c1-14-5-3-7-16(9-14)22-20(27)15-6-4-8-17(10-15)26-12-18(23-24-26)19-11-21-13-25(19)2/h3-13H,1-2H3,(H,22,27).
What are the key properties of 3-[4-(3-methylimidazol-4-yl)triazol-1-yl]-N-(3-methylphenyl)benzamide?
3-[4-(3-methylimidazol-4-yl)triazol-1-yl]-N-(3-methylphenyl)benzamide has a molecular weight of 358.41 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-methylimidazol-4-yl)triazol-1-yl]-N-(3-methylphenyl)benzamide is sourced from PubChem (CID 146293961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).