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

C20H17ClN6O — CID 146293967

IUPACN-(3-chlorophenyl)-4-methyl-3-[4-(3-methylimidazol-4-yl)triazol-1-yl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(Cl)c2)cc1-n1cc(-c2cncn2C)nn1
InChIInChI=1S/C20H17ClN6O/c1-13-6-7-14(20(28)23-16-5-3-4-15(21)9-16)8-18(13)27-11-17(24-25-27)19-10-22-12-26(19)2/h3-12H,1-2H3,(H,23,28)
InChIKeyDILPMEWMDRKMEE-UHFFFAOYSA-N
MW392.85 g/mol
LogP3.88
Rot. Bonds4

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

N-(3-chlorophenyl)-4-methyl-3-[4-(3-methylimidazol-4-yl)triazol-1-yl]benzamide (PubChem CID 146293967) has the molecular formula C20H17ClN6O and a molecular weight of 392.85 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-methyl-3-[4-(3-methylimidazol-4-yl)triazol-1-yl]benzamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-methyl-3-[4-(3-methylimidazol-4-yl)triazol-1-yl]benzamide
PubChem CID146293967
Molecular FormulaC20H17ClN6O
Molecular Weight392.85 g/mol
Exact Mass392.12
IUPAC NameN-(3-chlorophenyl)-4-methyl-3-[4-(3-methylimidazol-4-yl)triazol-1-yl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(Cl)c2)cc1-n1cc(-c2cncn2C)nn1
InChIInChI=1S/C20H17ClN6O/c1-13-6-7-14(20(28)23-16-5-3-4-15(21)9-16)8-18(13)27-11-17(24-25-27)19-10-22-12-26(19)2/h3-12H,1-2H3,(H,23,28)
InChIKeyDILPMEWMDRKMEE-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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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-methyl-3-[4-(3-methylimidazol-4-yl)triazol-1-yl]benzamide?
The IUPAC name of N-(3-chlorophenyl)-4-methyl-3-[4-(3-methylimidazol-4-yl)triazol-1-yl]benzamide (CID 146293967) is N-(3-chlorophenyl)-4-methyl-3-[4-(3-methylimidazol-4-yl)triazol-1-yl]benzamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-methyl-3-[4-(3-methylimidazol-4-yl)triazol-1-yl]benzamide?
The canonical SMILES for N-(3-chlorophenyl)-4-methyl-3-[4-(3-methylimidazol-4-yl)triazol-1-yl]benzamide is Cc1ccc(C(=O)Nc2cccc(Cl)c2)cc1-n1cc(-c2cncn2C)nn1.
What is the InChIKey of N-(3-chlorophenyl)-4-methyl-3-[4-(3-methylimidazol-4-yl)triazol-1-yl]benzamide?
The InChIKey is DILPMEWMDRKMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN6O/c1-13-6-7-14(20(28)23-16-5-3-4-15(21)9-16)8-18(13)27-11-17(24-25-27)19-10-22-12-26(19)2/h3-12H,1-2H3,(H,23,28).
What are the key properties of N-(3-chlorophenyl)-4-methyl-3-[4-(3-methylimidazol-4-yl)triazol-1-yl]benzamide?
N-(3-chlorophenyl)-4-methyl-3-[4-(3-methylimidazol-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)-4-methyl-3-[4-(3-methylimidazol-4-yl)triazol-1-yl]benzamide is sourced from PubChem (CID 146293967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).