N-[2,2-bis(4-chlorophenyl)-2-imidazol-1-ylethyl]benzamide

C24H19Cl2N3O — CID 53348132

IUPACN-[2,2-bis(4-chlorophenyl)-2-imidazol-1-ylethyl]benzamide
SMILESO=C(NCC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)n1ccnc1)c1ccccc1
InChIInChI=1S/C24H19Cl2N3O/c25-21-10-6-19(7-11-21)24(29-15-14-27-17-29,20-8-12-22(26)13-9-20)16-28-23(30)18-4-2-1-3-5-18/h1-15,17H,16H2,(H,28,30)
InChIKeyFBPVJWUZNQQNEU-UHFFFAOYSA-N
MW436.34 g/mol
LogP5.41
Rot. Bonds6

About N-[2,2-bis(4-chlorophenyl)-2-imidazol-1-ylethyl]benzamide

N-[2,2-bis(4-chlorophenyl)-2-imidazol-1-ylethyl]benzamide (PubChem CID 53348132) has the molecular formula C24H19Cl2N3O and a molecular weight of 436.34 g/mol. Its IUPAC name is N-[2,2-bis(4-chlorophenyl)-2-imidazol-1-ylethyl]benzamide.

Molecular Properties

Compound NameN-[2,2-bis(4-chlorophenyl)-2-imidazol-1-ylethyl]benzamide
PubChem CID53348132
Molecular FormulaC24H19Cl2N3O
Molecular Weight436.34 g/mol
Exact Mass435.09
IUPAC NameN-[2,2-bis(4-chlorophenyl)-2-imidazol-1-ylethyl]benzamide
SMILESO=C(NCC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)n1ccnc1)c1ccccc1
InChIInChI=1S/C24H19Cl2N3O/c25-21-10-6-19(7-11-21)24(29-15-14-27-17-29,20-8-12-22(26)13-9-20)16-28-23(30)18-4-2-1-3-5-18/h1-15,17H,16H2,(H,28,30)
InChIKeyFBPVJWUZNQQNEU-UHFFFAOYSA-N
XLogP5.41
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.34
LogP ≤ 55.41
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
3-chloro-N-[3-(1H-imidazol-1-yl)propyl]benzamide
CID 2848220
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
(-)-4'-Chloro-N-[2-(1H-imidazol-1-yl)-1-phenylethyl]-[1,1'-biphenyl]-4-carboxamide
CID 11538619
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
N-[3-(1H-imidazol-1-yl)propyl][1,1'-biphenyl]-4-carboxamide
CID 3433998
3,5-dichloro-N-(3-imidazol-1-ylpropyl)benzamide;hydrochloride
CID 16239233

Frequently Asked Questions

What is the IUPAC name of N-[2,2-bis(4-chlorophenyl)-2-imidazol-1-ylethyl]benzamide?
The IUPAC name of N-[2,2-bis(4-chlorophenyl)-2-imidazol-1-ylethyl]benzamide (CID 53348132) is N-[2,2-bis(4-chlorophenyl)-2-imidazol-1-ylethyl]benzamide.
What is the SMILES notation for N-[2,2-bis(4-chlorophenyl)-2-imidazol-1-ylethyl]benzamide?
The canonical SMILES for N-[2,2-bis(4-chlorophenyl)-2-imidazol-1-ylethyl]benzamide is O=C(NCC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)n1ccnc1)c1ccccc1.
What is the InChIKey of N-[2,2-bis(4-chlorophenyl)-2-imidazol-1-ylethyl]benzamide?
The InChIKey is FBPVJWUZNQQNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2N3O/c25-21-10-6-19(7-11-21)24(29-15-14-27-17-29,20-8-12-22(26)13-9-20)16-28-23(30)18-4-2-1-3-5-18/h1-15,17H,16H2,(H,28,30).
What are the key properties of N-[2,2-bis(4-chlorophenyl)-2-imidazol-1-ylethyl]benzamide?
N-[2,2-bis(4-chlorophenyl)-2-imidazol-1-ylethyl]benzamide has a molecular weight of 436.34 g/mol, XLogP of 5.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-bis(4-chlorophenyl)-2-imidazol-1-ylethyl]benzamide is sourced from PubChem (CID 53348132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).