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

C25H22ClN3O2 — CID 135349193

IUPACN-[5-benzyl-4-(4-methoxyphenyl)-1-methylimidazol-2-yl]-4-chlorobenzamide
SMILESCOc1ccc(-c2nc(NC(=O)c3ccc(Cl)cc3)n(C)c2Cc2ccccc2)cc1
InChIInChI=1S/C25H22ClN3O2/c1-29-22(16-17-6-4-3-5-7-17)23(18-10-14-21(31-2)15-11-18)27-25(29)28-24(30)19-8-12-20(26)13-9-19/h3-15H,16H2,1-2H3,(H,27,28,30)
InChIKeyPMBKMCWDHCSAQY-UHFFFAOYSA-N
MW431.92 g/mol
LogP5.59
Rot. Bonds6

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

N-[5-benzyl-4-(4-methoxyphenyl)-1-methylimidazol-2-yl]-4-chlorobenzamide (PubChem CID 135349193) has the molecular formula C25H22ClN3O2 and a molecular weight of 431.92 g/mol. Its IUPAC name is N-[5-benzyl-4-(4-methoxyphenyl)-1-methylimidazol-2-yl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[5-benzyl-4-(4-methoxyphenyl)-1-methylimidazol-2-yl]-4-chlorobenzamide
PubChem CID135349193
Molecular FormulaC25H22ClN3O2
Molecular Weight431.92 g/mol
Exact Mass431.14
IUPAC NameN-[5-benzyl-4-(4-methoxyphenyl)-1-methylimidazol-2-yl]-4-chlorobenzamide
SMILESCOc1ccc(-c2nc(NC(=O)c3ccc(Cl)cc3)n(C)c2Cc2ccccc2)cc1
InChIInChI=1S/C25H22ClN3O2/c1-29-22(16-17-6-4-3-5-7-17)23(18-10-14-21(31-2)15-11-18)27-25(29)28-24(30)19-8-12-20(26)13-9-19/h3-15H,16H2,1-2H3,(H,27,28,30)
InChIKeyPMBKMCWDHCSAQY-UHFFFAOYSA-N
XLogP5.59
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.92
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-benzyl-5-(4-methoxyphenyl)-1-methylimidazol-2-yl]-4-methoxybenzamide
CID 126744189
N-[4-benzyl-5-(4-chlorophenyl)-1-methylimidazol-2-yl]-4-chlorobenzamide
CID 126744129
4-chloro-N-[4-(4-methoxyphenyl)-1-methylimidazol-2-yl]benzamide
CID 142448268
N-[4-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]benzamide
CID 20896243
N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]benzamide
CID 1096852
N-benzyl-N-[2-[[1,4-bis(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-4-chlorobenzamide
CID 46146240
1-N-[(4-chlorophenyl)methyl]-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109047359
N-(5-benzyl-4-phenyl-3H-pyrrol-2-yl)-4-methoxybenzamide
CID 161413268
4-chloro-N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 17009016
4-methoxy-N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]benzamide
CID 46328919
N-[4-(cyclopropylmethyl)-5-(4-methoxyphenyl)-1-methylimidazol-2-yl]-4-methoxybenzamide
CID 126744125
benzamide;1-chloro-4-methoxybenzene;N-(4-methoxyphenyl)benzamide
CID 161282145

Frequently Asked Questions

What is the IUPAC name of N-[5-benzyl-4-(4-methoxyphenyl)-1-methylimidazol-2-yl]-4-chlorobenzamide?
The IUPAC name of N-[5-benzyl-4-(4-methoxyphenyl)-1-methylimidazol-2-yl]-4-chlorobenzamide (CID 135349193) is N-[5-benzyl-4-(4-methoxyphenyl)-1-methylimidazol-2-yl]-4-chlorobenzamide.
What is the SMILES notation for N-[5-benzyl-4-(4-methoxyphenyl)-1-methylimidazol-2-yl]-4-chlorobenzamide?
The canonical SMILES for N-[5-benzyl-4-(4-methoxyphenyl)-1-methylimidazol-2-yl]-4-chlorobenzamide is COc1ccc(-c2nc(NC(=O)c3ccc(Cl)cc3)n(C)c2Cc2ccccc2)cc1.
What is the InChIKey of N-[5-benzyl-4-(4-methoxyphenyl)-1-methylimidazol-2-yl]-4-chlorobenzamide?
The InChIKey is PMBKMCWDHCSAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O2/c1-29-22(16-17-6-4-3-5-7-17)23(18-10-14-21(31-2)15-11-18)27-25(29)28-24(30)19-8-12-20(26)13-9-19/h3-15H,16H2,1-2H3,(H,27,28,30).
What are the key properties of N-[5-benzyl-4-(4-methoxyphenyl)-1-methylimidazol-2-yl]-4-chlorobenzamide?
N-[5-benzyl-4-(4-methoxyphenyl)-1-methylimidazol-2-yl]-4-chlorobenzamide has a molecular weight of 431.92 g/mol, XLogP of 5.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-benzyl-4-(4-methoxyphenyl)-1-methylimidazol-2-yl]-4-chlorobenzamide is sourced from PubChem (CID 135349193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).