N-[4-benzyl-5-(4-chlorophenyl)-1-methylimidazol-2-yl]-4-chlorobenzamide

C24H19Cl2N3O — CID 126744129

IUPACN-[4-benzyl-5-(4-chlorophenyl)-1-methylimidazol-2-yl]-4-chlorobenzamide
SMILESCn1c(NC(=O)c2ccc(Cl)cc2)nc(Cc2ccccc2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C24H19Cl2N3O/c1-29-22(17-7-11-19(25)12-8-17)21(15-16-5-3-2-4-6-16)27-24(29)28-23(30)18-9-13-20(26)14-10-18/h2-14H,15H2,1H3,(H,27,28,30)
InChIKeyJPUDSEWZOKUNHP-UHFFFAOYSA-N
MW436.34 g/mol
LogP6.24
Rot. Bonds5

About N-[4-benzyl-5-(4-chlorophenyl)-1-methylimidazol-2-yl]-4-chlorobenzamide

N-[4-benzyl-5-(4-chlorophenyl)-1-methylimidazol-2-yl]-4-chlorobenzamide (PubChem CID 126744129) has the molecular formula C24H19Cl2N3O and a molecular weight of 436.34 g/mol. Its IUPAC name is N-[4-benzyl-5-(4-chlorophenyl)-1-methylimidazol-2-yl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[4-benzyl-5-(4-chlorophenyl)-1-methylimidazol-2-yl]-4-chlorobenzamide
PubChem CID126744129
Molecular FormulaC24H19Cl2N3O
Molecular Weight436.34 g/mol
Exact Mass435.09
IUPAC NameN-[4-benzyl-5-(4-chlorophenyl)-1-methylimidazol-2-yl]-4-chlorobenzamide
SMILESCn1c(NC(=O)c2ccc(Cl)cc2)nc(Cc2ccccc2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C24H19Cl2N3O/c1-29-22(17-7-11-19(25)12-8-17)21(15-16-5-3-2-4-6-16)27-24(29)28-23(30)18-9-13-20(26)14-10-18/h2-14H,15H2,1H3,(H,27,28,30)
InChIKeyJPUDSEWZOKUNHP-UHFFFAOYSA-N
XLogP6.24
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.34
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-benzyl-5-(4-methoxyphenyl)-1-methylimidazol-2-yl]-4-methoxybenzamide
CID 126744189
N-[5-benzyl-4-(4-methoxyphenyl)-1-methylimidazol-2-yl]-4-chlorobenzamide
CID 135349193
N-(4-benzyl-1-methyl-5-phenylimidazol-2-yl)-2-methylpropanamide
CID 118384333
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4-chlorobenzamide
CID 43836531
N-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]benzamide
CID 1111773
N-(5-benzyl-4-tert-butyl-1,3-thiazol-2-yl)-4-chlorobenzamide;hydrobromide
CID 141313772
4-chloro-N-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)benzamide
CID 165343781
N-[1-methyl-4-[(4-methylpiperazin-1-yl)methyl]-5-phenylimidazol-2-yl]acetamide
CID 51362783
4-chloro-N-[4-(4-methoxyphenyl)-1-methylimidazol-2-yl]benzamide
CID 142448268
N-(1,4-diphenylimidazol-2-yl)-4-(2-phenylethyl)benzamide
CID 70261482
4-[(4-chlorobenzoyl)amino]-2-phenyl-1,3-thiazole-5-carboxylic acid
CID 10126129
N-(1-methylbenzimidazol-2-yl)-4-phenoxybenzamide
CID 72725713

Frequently Asked Questions

What is the IUPAC name of N-[4-benzyl-5-(4-chlorophenyl)-1-methylimidazol-2-yl]-4-chlorobenzamide?
The IUPAC name of N-[4-benzyl-5-(4-chlorophenyl)-1-methylimidazol-2-yl]-4-chlorobenzamide (CID 126744129) is N-[4-benzyl-5-(4-chlorophenyl)-1-methylimidazol-2-yl]-4-chlorobenzamide.
What is the SMILES notation for N-[4-benzyl-5-(4-chlorophenyl)-1-methylimidazol-2-yl]-4-chlorobenzamide?
The canonical SMILES for N-[4-benzyl-5-(4-chlorophenyl)-1-methylimidazol-2-yl]-4-chlorobenzamide is Cn1c(NC(=O)c2ccc(Cl)cc2)nc(Cc2ccccc2)c1-c1ccc(Cl)cc1.
What is the InChIKey of N-[4-benzyl-5-(4-chlorophenyl)-1-methylimidazol-2-yl]-4-chlorobenzamide?
The InChIKey is JPUDSEWZOKUNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2N3O/c1-29-22(17-7-11-19(25)12-8-17)21(15-16-5-3-2-4-6-16)27-24(29)28-23(30)18-9-13-20(26)14-10-18/h2-14H,15H2,1H3,(H,27,28,30).
What are the key properties of N-[4-benzyl-5-(4-chlorophenyl)-1-methylimidazol-2-yl]-4-chlorobenzamide?
N-[4-benzyl-5-(4-chlorophenyl)-1-methylimidazol-2-yl]-4-chlorobenzamide has a molecular weight of 436.34 g/mol, XLogP of 6.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-benzyl-5-(4-chlorophenyl)-1-methylimidazol-2-yl]-4-chlorobenzamide is sourced from PubChem (CID 126744129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).