4-(4-chlorophenyl)-N-(2-imidazol-1-yl-1-phenylethyl)benzamide

C24H20ClN3O — CID 11538619

IUPAC4-(4-chlorophenyl)-N-(2-imidazol-1-yl-1-phenylethyl)benzamide
SMILESO=C(NC(Cn1ccnc1)c1ccccc1)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H20ClN3O/c25-22-12-10-19(11-13-22)18-6-8-21(9-7-18)24(29)27-23(16-28-15-14-26-17-28)20-4-2-1-3-5-20/h1-15,17,23H,16H2,(H,27,29)
InChIKeyCIFIVCCKVZFJFT-UHFFFAOYSA-N
MW401.90 g/mol
LogP5.37
Rot. Bonds6

About 4-(4-chlorophenyl)-N-(2-imidazol-1-yl-1-phenylethyl)benzamide

4-(4-chlorophenyl)-N-(2-imidazol-1-yl-1-phenylethyl)benzamide (PubChem CID 11538619) has the molecular formula C24H20ClN3O and a molecular weight of 401.90 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(2-imidazol-1-yl-1-phenylethyl)benzamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(2-imidazol-1-yl-1-phenylethyl)benzamide
PubChem CID11538619
Molecular FormulaC24H20ClN3O
Molecular Weight401.90 g/mol
Exact Mass401.13
IUPAC Name4-(4-chlorophenyl)-N-(2-imidazol-1-yl-1-phenylethyl)benzamide
SMILESO=C(NC(Cn1ccnc1)c1ccccc1)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H20ClN3O/c25-22-12-10-19(11-13-22)18-6-8-21(9-7-18)24(29)27-23(16-28-15-14-26-17-28)20-4-2-1-3-5-20/h1-15,17,23H,16H2,(H,27,29)
InChIKeyCIFIVCCKVZFJFT-UHFFFAOYSA-N
XLogP5.37
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.90
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Chloro-N-[3-(1H-imidazol-1-yl)propyl]benzamide
CID 2842664
4'-Chloro-biphenyl-4-carboxylic acid (2-imidazol-1-yl-2-phenyl-ethyl)-amide
CID 9952928
(4-((1H-imidazol-2-yl)methyl)piperidin-1-yl)(biphenyl-4-yl)methanone
CID 44565831
3-chloro-N-[3-(1H-imidazol-1-yl)propyl]benzamide
CID 2848220
N-[3-(1H-imidazol-1-yl)propyl]-3,4-dimethylbenzamide
CID 2862530
4'-Chloro-N-[(1r)-2-(1h-Imidazol-1-Yl)-1-Phenylethyl]biphenyl-4-Carboxamide
CID 49867822
N-[(3,5-dichlorophenyl)methyl]-3-[(1H-imidazol-1-yl)methyl]benzamide
CID 137530077
Azole, 20
CID 11517747
Azole, 1
CID 53348132
Azole, 8
CID 53348138
4-[3-[(4-Chlorophenyl)methyl]-2-methylimidazol-3-ium-1-yl]-2,2-diphenylbutanamide bromide
CID 44332935
3,4-Dichloro-N-[3-(1H-imidazol-1-yl)propyl]benzamide
CID 2931317

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-(2-imidazol-1-yl-1-phenylethyl)benzamide?
The IUPAC name of 4-(4-chlorophenyl)-N-(2-imidazol-1-yl-1-phenylethyl)benzamide (CID 11538619) is 4-(4-chlorophenyl)-N-(2-imidazol-1-yl-1-phenylethyl)benzamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(2-imidazol-1-yl-1-phenylethyl)benzamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-(2-imidazol-1-yl-1-phenylethyl)benzamide is O=C(NC(Cn1ccnc1)c1ccccc1)c1ccc(-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-(2-imidazol-1-yl-1-phenylethyl)benzamide?
The InChIKey is CIFIVCCKVZFJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O/c25-22-12-10-19(11-13-22)18-6-8-21(9-7-18)24(29)27-23(16-28-15-14-26-17-28)20-4-2-1-3-5-20/h1-15,17,23H,16H2,(H,27,29).
What are the key properties of 4-(4-chlorophenyl)-N-(2-imidazol-1-yl-1-phenylethyl)benzamide?
4-(4-chlorophenyl)-N-(2-imidazol-1-yl-1-phenylethyl)benzamide has a molecular weight of 401.90 g/mol, XLogP of 5.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-(2-imidazol-1-yl-1-phenylethyl)benzamide is sourced from PubChem (CID 11538619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).