N-(3-chlorophenyl)-3-[4-(3,5-dimethylimidazol-4-yl)triazol-1-yl]benzamide

C20H17ClN6O — CID 146294022

IUPACN-(3-chlorophenyl)-3-[4-(3,5-dimethylimidazol-4-yl)triazol-1-yl]benzamide
SMILESCc1ncn(C)c1-c1cn(-c2cccc(C(=O)Nc3cccc(Cl)c3)c2)nn1
InChIInChI=1S/C20H17ClN6O/c1-13-19(26(2)12-22-13)18-11-27(25-24-18)17-8-3-5-14(9-17)20(28)23-16-7-4-6-15(21)10-16/h3-12H,1-2H3,(H,23,28)
InChIKeyMNDLSLNBIDCDHA-UHFFFAOYSA-N
MW392.85 g/mol
LogP3.88
Rot. Bonds4

About N-(3-chlorophenyl)-3-[4-(3,5-dimethylimidazol-4-yl)triazol-1-yl]benzamide

N-(3-chlorophenyl)-3-[4-(3,5-dimethylimidazol-4-yl)triazol-1-yl]benzamide (PubChem CID 146294022) has the molecular formula C20H17ClN6O and a molecular weight of 392.85 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-[4-(3,5-dimethylimidazol-4-yl)triazol-1-yl]benzamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-[4-(3,5-dimethylimidazol-4-yl)triazol-1-yl]benzamide
PubChem CID146294022
Molecular FormulaC20H17ClN6O
Molecular Weight392.85 g/mol
Exact Mass392.12
IUPAC NameN-(3-chlorophenyl)-3-[4-(3,5-dimethylimidazol-4-yl)triazol-1-yl]benzamide
SMILESCc1ncn(C)c1-c1cn(-c2cccc(C(=O)Nc3cccc(Cl)c3)c2)nn1
InChIInChI=1S/C20H17ClN6O/c1-13-19(26(2)12-22-13)18-11-27(25-24-18)17-8-3-5-14(9-17)20(28)23-16-7-4-6-15(21)10-16/h3-12H,1-2H3,(H,23,28)
InChIKeyMNDLSLNBIDCDHA-UHFFFAOYSA-N
XLogP3.88
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.85
LogP ≤ 53.88
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-(trifluoromethyl)phenyl]benzamide
CID 146293963
1-(3-carbamimidoylphenyl)-N-[4-(5-chloro-1H-1,3-benzodiazol-1-yl)phenyl]-3-(pyridin-3-yl)-1H-pyrazole-5-carboxamide
CID 23646207
N-{3-[4-(3-Azido-phenyl)-5-pyridin-4-yl-imidazol-1-yl]-propyl}-4-iodo-benzamide
CID 44404442
3-(4-{[(2-Chlorophenyl)carbamoyl]amino}-1h-Pyrazol-1-Yl)-N-(2-Methylpyridin-4-Yl)benzamide
CID 87057579
1-[(3,5-dichloro-2-pyridinyl)methyl]-N-[(1R)-1-phenylpropyl]benzimidazole-5-carboxamide
CID 44132339
Azole, 20
CID 11517747
3-[(4-chloro-1H-pyrazol-1-yl)methyl]-N-(1-methyl-1H-benzimidazol-2-yl)benzamide
CID 1314911
N-(3-chloro-2-methylphenyl)-6-(1H-imidazol-1-yl)nicotinamide
CID 1473674
1-[(3-chloro-2-pyridinyl)methyl]-N-[(1R)-1-phenylpropyl]benzimidazole-5-carboxamide
CID 44132181
1-[(5-chloro-2-pyridinyl)methyl]-N-[(1R)-1-phenylpropyl]benzimidazole-5-carboxamide
CID 44132341
4-amino-N-[3-[[(3-chlorophenyl)carbamoylamino]methyl]phenyl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
CID 44518365
3-(4-cyclopropyl-1H-imidazol-1-yl)-N-(6-(4-isopropyl-4H-1,2,4-triazol-3-yl)pyridin-2-yl)benzamide
CID 57504995

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-[4-(3,5-dimethylimidazol-4-yl)triazol-1-yl]benzamide?
The IUPAC name of N-(3-chlorophenyl)-3-[4-(3,5-dimethylimidazol-4-yl)triazol-1-yl]benzamide (CID 146294022) is N-(3-chlorophenyl)-3-[4-(3,5-dimethylimidazol-4-yl)triazol-1-yl]benzamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-[4-(3,5-dimethylimidazol-4-yl)triazol-1-yl]benzamide?
The canonical SMILES for N-(3-chlorophenyl)-3-[4-(3,5-dimethylimidazol-4-yl)triazol-1-yl]benzamide is Cc1ncn(C)c1-c1cn(-c2cccc(C(=O)Nc3cccc(Cl)c3)c2)nn1.
What is the InChIKey of N-(3-chlorophenyl)-3-[4-(3,5-dimethylimidazol-4-yl)triazol-1-yl]benzamide?
The InChIKey is MNDLSLNBIDCDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN6O/c1-13-19(26(2)12-22-13)18-11-27(25-24-18)17-8-3-5-14(9-17)20(28)23-16-7-4-6-15(21)10-16/h3-12H,1-2H3,(H,23,28).
What are the key properties of N-(3-chlorophenyl)-3-[4-(3,5-dimethylimidazol-4-yl)triazol-1-yl]benzamide?
N-(3-chlorophenyl)-3-[4-(3,5-dimethylimidazol-4-yl)triazol-1-yl]benzamide has a molecular weight of 392.85 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-[4-(3,5-dimethylimidazol-4-yl)triazol-1-yl]benzamide is sourced from PubChem (CID 146294022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).