4-(4-chlorophenyl)-N-[2-imidazol-1-yl-3-(4-methoxyphenyl)propyl]benzamide

C26H24ClN3O2 — CID 53348140

IUPAC4-(4-chlorophenyl)-N-[2-imidazol-1-yl-3-(4-methoxyphenyl)propyl]benzamide
SMILESCOc1ccc(CC(CNC(=O)c2ccc(-c3ccc(Cl)cc3)cc2)n2ccnc2)cc1
InChIInChI=1S/C26H24ClN3O2/c1-32-25-12-2-19(3-13-25)16-24(30-15-14-28-18-30)17-29-26(31)22-6-4-20(5-7-22)21-8-10-23(27)11-9-21/h2-15,18,24H,16-17H2,1H3,(H,29,31)
InChIKeyGMARYWXAHPUORZ-UHFFFAOYSA-N
MW445.95 g/mol
LogP5.43
Rot. Bonds8

About 4-(4-chlorophenyl)-N-[2-imidazol-1-yl-3-(4-methoxyphenyl)propyl]benzamide

4-(4-chlorophenyl)-N-[2-imidazol-1-yl-3-(4-methoxyphenyl)propyl]benzamide (PubChem CID 53348140) has the molecular formula C26H24ClN3O2 and a molecular weight of 445.95 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[2-imidazol-1-yl-3-(4-methoxyphenyl)propyl]benzamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[2-imidazol-1-yl-3-(4-methoxyphenyl)propyl]benzamide
PubChem CID53348140
Molecular FormulaC26H24ClN3O2
Molecular Weight445.95 g/mol
Exact Mass445.16
IUPAC Name4-(4-chlorophenyl)-N-[2-imidazol-1-yl-3-(4-methoxyphenyl)propyl]benzamide
SMILESCOc1ccc(CC(CNC(=O)c2ccc(-c3ccc(Cl)cc3)cc2)n2ccnc2)cc1
InChIInChI=1S/C26H24ClN3O2/c1-32-25-12-2-19(3-13-25)16-24(30-15-14-28-18-30)17-29-26(31)22-6-4-20(5-7-22)21-8-10-23(27)11-9-21/h2-15,18,24H,16-17H2,1H3,(H,29,31)
InChIKeyGMARYWXAHPUORZ-UHFFFAOYSA-N
XLogP5.43
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.95
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenyl)-2-imidazol-1-ylethyl]-4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]benzamide
CID 132576472
N-(2-imidazol-1-yl-2-phenylethyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzamide
CID 118712540
4-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]benzamide
CID 31533303
4-(imidazol-1-ylmethyl)-N-[3-(4-methoxyphenyl)propyl]benzamide
CID 46773577
1-N-[(4-chlorophenyl)methyl]-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109047359
1-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]imidazole
CID 57402760
3-[[4-[[3-(3-chloro-5-methylphenyl)-5-(4-methoxyphenyl)pyrazol-1-yl]methyl]benzoyl]amino]propanoic acid
CID 142930209
N-(3-imidazol-1-ylpropyl)-4-methoxybenzamide;hydrochloride
CID 6603491
N-[(2R)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-methoxybenzamide
CID 40782506
4-chloro-N-[2-(4-chlorophenoxy)propyl]benzamide
CID 51065326
4-chloro-N-[4-[2-(4-methoxyphenyl)ethylamino]-4-oxobutyl]benzamide
CID 17432466
4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 46091792

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[2-imidazol-1-yl-3-(4-methoxyphenyl)propyl]benzamide?
The IUPAC name of 4-(4-chlorophenyl)-N-[2-imidazol-1-yl-3-(4-methoxyphenyl)propyl]benzamide (CID 53348140) is 4-(4-chlorophenyl)-N-[2-imidazol-1-yl-3-(4-methoxyphenyl)propyl]benzamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[2-imidazol-1-yl-3-(4-methoxyphenyl)propyl]benzamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-[2-imidazol-1-yl-3-(4-methoxyphenyl)propyl]benzamide is COc1ccc(CC(CNC(=O)c2ccc(-c3ccc(Cl)cc3)cc2)n2ccnc2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[2-imidazol-1-yl-3-(4-methoxyphenyl)propyl]benzamide?
The InChIKey is GMARYWXAHPUORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN3O2/c1-32-25-12-2-19(3-13-25)16-24(30-15-14-28-18-30)17-29-26(31)22-6-4-20(5-7-22)21-8-10-23(27)11-9-21/h2-15,18,24H,16-17H2,1H3,(H,29,31).
What are the key properties of 4-(4-chlorophenyl)-N-[2-imidazol-1-yl-3-(4-methoxyphenyl)propyl]benzamide?
4-(4-chlorophenyl)-N-[2-imidazol-1-yl-3-(4-methoxyphenyl)propyl]benzamide has a molecular weight of 445.95 g/mol, XLogP of 5.43, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[2-imidazol-1-yl-3-(4-methoxyphenyl)propyl]benzamide is sourced from PubChem (CID 53348140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).