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

C19H15ClN6O — CID 146294019

IUPACN-(3-chlorophenyl)-3-[4-(3-methylimidazol-4-yl)triazol-1-yl]benzamide
SMILESCn1cncc1-c1cn(-c2cccc(C(=O)Nc3cccc(Cl)c3)c2)nn1
InChIInChI=1S/C19H15ClN6O/c1-25-12-21-10-18(25)17-11-26(24-23-17)16-7-2-4-13(8-16)19(27)22-15-6-3-5-14(20)9-15/h2-12H,1H3,(H,22,27)
InChIKeyLKJCXELXJGTDQD-UHFFFAOYSA-N
MW378.82 g/mol
LogP3.57
Rot. Bonds4

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

N-(3-chlorophenyl)-3-[4-(3-methylimidazol-4-yl)triazol-1-yl]benzamide (PubChem CID 146294019) has the molecular formula C19H15ClN6O and a molecular weight of 378.82 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-[4-(3-methylimidazol-4-yl)triazol-1-yl]benzamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-[4-(3-methylimidazol-4-yl)triazol-1-yl]benzamide
PubChem CID146294019
Molecular FormulaC19H15ClN6O
Molecular Weight378.82 g/mol
Exact Mass378.10
IUPAC NameN-(3-chlorophenyl)-3-[4-(3-methylimidazol-4-yl)triazol-1-yl]benzamide
SMILESCn1cncc1-c1cn(-c2cccc(C(=O)Nc3cccc(Cl)c3)c2)nn1
InChIInChI=1S/C19H15ClN6O/c1-25-12-21-10-18(25)17-11-26(24-23-17)16-7-2-4-13(8-16)19(27)22-15-6-3-5-14(20)9-15/h2-12H,1H3,(H,22,27)
InChIKeyLKJCXELXJGTDQD-UHFFFAOYSA-N
XLogP3.57
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 ≤ 53.57
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
3-(4-{[(2-Chlorophenyl)carbamoyl]amino}-1h-Pyrazol-1-Yl)-N-(2-Methylpyridin-4-Yl)benzamide
CID 87057579
1-(5-Chloro-2-Methylphenyl)-4-(Pyrrolo[2,1-F][1,2,4]triazin-4-Yl)-1h-Pyrrole-2-Carboxamide
CID 118129292
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
3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(6-methyl-3-pyridinyl)benzamide
CID 118143962
3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(2-methylpyrimidin-5-yl)benzamide
CID 118144359

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-[4-(3-methylimidazol-4-yl)triazol-1-yl]benzamide?
The IUPAC name of N-(3-chlorophenyl)-3-[4-(3-methylimidazol-4-yl)triazol-1-yl]benzamide (CID 146294019) is N-(3-chlorophenyl)-3-[4-(3-methylimidazol-4-yl)triazol-1-yl]benzamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-[4-(3-methylimidazol-4-yl)triazol-1-yl]benzamide?
The canonical SMILES for N-(3-chlorophenyl)-3-[4-(3-methylimidazol-4-yl)triazol-1-yl]benzamide is Cn1cncc1-c1cn(-c2cccc(C(=O)Nc3cccc(Cl)c3)c2)nn1.
What is the InChIKey of N-(3-chlorophenyl)-3-[4-(3-methylimidazol-4-yl)triazol-1-yl]benzamide?
The InChIKey is LKJCXELXJGTDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN6O/c1-25-12-21-10-18(25)17-11-26(24-23-17)16-7-2-4-13(8-16)19(27)22-15-6-3-5-14(20)9-15/h2-12H,1H3,(H,22,27).
What are the key properties of N-(3-chlorophenyl)-3-[4-(3-methylimidazol-4-yl)triazol-1-yl]benzamide?
N-(3-chlorophenyl)-3-[4-(3-methylimidazol-4-yl)triazol-1-yl]benzamide has a molecular weight of 378.82 g/mol, XLogP of 3.57, 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-methylimidazol-4-yl)triazol-1-yl]benzamide is sourced from PubChem (CID 146294019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).