N-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]benzamide

C23H16Cl3N3O — CID 11583370

IUPACN-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]benzamide
SMILESCc1c(NC(=O)c2ccccc2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1
InChIInChI=1S/C23H16Cl3N3O/c1-14-21(28-23(30)15-5-3-2-4-6-15)27-22(19-12-9-17(25)13-20(19)26)29(14)18-10-7-16(24)8-11-18/h2-13H,1H3,(H,28,30)
InChIKeyVLFAEWFJJOZHJY-UHFFFAOYSA-N
MW456.76 g/mol
LogP7.06
Rot. Bonds4

About N-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]benzamide

N-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]benzamide (PubChem CID 11583370) has the molecular formula C23H16Cl3N3O and a molecular weight of 456.76 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]benzamide
PubChem CID11583370
Molecular FormulaC23H16Cl3N3O
Molecular Weight456.76 g/mol
Exact Mass455.04
IUPAC NameN-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]benzamide
SMILESCc1c(NC(=O)c2ccccc2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1
InChIInChI=1S/C23H16Cl3N3O/c1-14-21(28-23(30)15-5-3-2-4-6-15)27-22(19-12-9-17(25)13-20(19)26)29(14)18-10-7-16(24)8-11-18/h2-13H,1H3,(H,28,30)
InChIKeyVLFAEWFJJOZHJY-UHFFFAOYSA-N
XLogP7.06
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.76
LogP ≤ 57.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]benzamide?
The IUPAC name of N-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]benzamide (CID 11583370) is N-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]benzamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]benzamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]benzamide is Cc1c(NC(=O)c2ccccc2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]benzamide?
The InChIKey is VLFAEWFJJOZHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl3N3O/c1-14-21(28-23(30)15-5-3-2-4-6-15)27-22(19-12-9-17(25)13-20(19)26)29(14)18-10-7-16(24)8-11-18/h2-13H,1H3,(H,28,30).
What are the key properties of N-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]benzamide?
N-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]benzamide has a molecular weight of 456.76 g/mol, XLogP of 7.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]benzamide is sourced from PubChem (CID 11583370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).