1-(4-chlorophenyl)-N-(2-imidazol-1-ylphenyl)-5-methyl-1,2,4-triazole-3-carboxamide

C19H15ClN6O — CID 78899796

IUPAC1-(4-chlorophenyl)-N-(2-imidazol-1-ylphenyl)-5-methyl-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)Nc2ccccc2-n2ccnc2)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C19H15ClN6O/c1-13-22-18(24-26(13)15-8-6-14(20)7-9-15)19(27)23-16-4-2-3-5-17(16)25-11-10-21-12-25/h2-12H,1H3,(H,23,27)
InChIKeyDLXQLSZOPCBASL-UHFFFAOYSA-N
MW378.82 g/mol
LogP3.67
Rot. Bonds4

About 1-(4-chlorophenyl)-N-(2-imidazol-1-ylphenyl)-5-methyl-1,2,4-triazole-3-carboxamide

1-(4-chlorophenyl)-N-(2-imidazol-1-ylphenyl)-5-methyl-1,2,4-triazole-3-carboxamide (PubChem CID 78899796) has the molecular formula C19H15ClN6O and a molecular weight of 378.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(2-imidazol-1-ylphenyl)-5-methyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(2-imidazol-1-ylphenyl)-5-methyl-1,2,4-triazole-3-carboxamide
PubChem CID78899796
Molecular FormulaC19H15ClN6O
Molecular Weight378.82 g/mol
Exact Mass378.10
IUPAC Name1-(4-chlorophenyl)-N-(2-imidazol-1-ylphenyl)-5-methyl-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)Nc2ccccc2-n2ccnc2)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C19H15ClN6O/c1-13-22-18(24-26(13)15-8-6-14(20)7-9-15)19(27)23-16-4-2-3-5-17(16)25-11-10-21-12-25/h2-12H,1H3,(H,23,27)
InChIKeyDLXQLSZOPCBASL-UHFFFAOYSA-N
XLogP3.67
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.82
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-chlorophenyl)-N-(2-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 15944333
N-(3-acetamido-2-methylphenyl)-1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 86922095
1-(4-chlorophenyl)-N-[2-(methoxymethyl)phenyl]-5-methyl-1,2,4-triazole-3-carboxamide
CID 78876140
4-chloro-N-(2-imidazol-1-ylphenyl)pyridine-3-carboxamide
CID 81228247
N-(2-imidazol-1-ylphenyl)-4-methylbenzamide
CID 12911544
5-chloro-N-(2-imidazol-1-ylphenyl)thiophene-2-carboxamide
CID 47165423
N-(2-imidazol-1-ylphenyl)-2-methyl-6-phenylpyridine-3-carboxamide
CID 55597500
1-(4-chlorophenyl)-5-methyl-N-[2-methyl-3-(propan-2-yloxymethyl)phenyl]-1,2,4-triazole-3-carboxamide
CID 99817254
N-(2-imidazol-1-ylphenyl)-2-(propan-2-ylamino)acetamide
CID 60842536
1-(4-chlorophenyl)-5-methyl-N-propan-2-yl-1,2,4-triazole-3-carboxamide
CID 24539442
1-(4-chlorophenyl)-5-methyl-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-1,2,4-triazole-3-carboxamide
CID 78902307
N-(2-imidazol-1-ylphenyl)-2-methoxybenzamide
CID 12911562

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(2-imidazol-1-ylphenyl)-5-methyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(2-imidazol-1-ylphenyl)-5-methyl-1,2,4-triazole-3-carboxamide (CID 78899796) is 1-(4-chlorophenyl)-N-(2-imidazol-1-ylphenyl)-5-methyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(2-imidazol-1-ylphenyl)-5-methyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(2-imidazol-1-ylphenyl)-5-methyl-1,2,4-triazole-3-carboxamide is Cc1nc(C(=O)Nc2ccccc2-n2ccnc2)nn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(2-imidazol-1-ylphenyl)-5-methyl-1,2,4-triazole-3-carboxamide?
The InChIKey is DLXQLSZOPCBASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN6O/c1-13-22-18(24-26(13)15-8-6-14(20)7-9-15)19(27)23-16-4-2-3-5-17(16)25-11-10-21-12-25/h2-12H,1H3,(H,23,27).
What are the key properties of 1-(4-chlorophenyl)-N-(2-imidazol-1-ylphenyl)-5-methyl-1,2,4-triazole-3-carboxamide?
1-(4-chlorophenyl)-N-(2-imidazol-1-ylphenyl)-5-methyl-1,2,4-triazole-3-carboxamide has a molecular weight of 378.82 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(2-imidazol-1-ylphenyl)-5-methyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 78899796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).