4-(4-chlorophenyl)-2-imidazol-1-yl-4-oxo-N-phenylbutanamide

C19H16ClN3O2 — CID 46232118

IUPAC4-(4-chlorophenyl)-2-imidazol-1-yl-4-oxo-N-phenylbutanamide
SMILESO=C(CC(C(=O)Nc1ccccc1)n1ccnc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H16ClN3O2/c20-15-8-6-14(7-9-15)18(24)12-17(23-11-10-21-13-23)19(25)22-16-4-2-1-3-5-16/h1-11,13,17H,12H2,(H,22,25)
InChIKeyVFNNIKMZOIWULI-UHFFFAOYSA-N
MW353.81 g/mol
LogP3.99
Rot. Bonds6

About 4-(4-chlorophenyl)-2-imidazol-1-yl-4-oxo-N-phenylbutanamide

4-(4-chlorophenyl)-2-imidazol-1-yl-4-oxo-N-phenylbutanamide (PubChem CID 46232118) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-imidazol-1-yl-4-oxo-N-phenylbutanamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-imidazol-1-yl-4-oxo-N-phenylbutanamide
PubChem CID46232118
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Name4-(4-chlorophenyl)-2-imidazol-1-yl-4-oxo-N-phenylbutanamide
SMILESO=C(CC(C(=O)Nc1ccccc1)n1ccnc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H16ClN3O2/c20-15-8-6-14(7-9-15)18(24)12-17(23-11-10-21-13-23)19(25)22-16-4-2-1-3-5-16/h1-11,13,17H,12H2,(H,22,25)
InChIKeyVFNNIKMZOIWULI-UHFFFAOYSA-N
XLogP3.99
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
analog of CK 3197
CID 10023912
4'-Chloro-N-[(1r)-2-(1h-Imidazol-1-Yl)-1-Phenylethyl]biphenyl-4-Carboxamide
CID 49867822
(-)-4'-Chloro-N-[2-(1H-imidazol-1-yl)-1-phenylethyl]-[1,1'-biphenyl]-4-carboxamide
CID 11538619
Azole, 1
CID 53348132
2-chloro-N-[3-[1-(4-imidazol-1-ylphenyl)ethylamino]-3-oxopropyl]benzamide
CID 18129604
N-(3-acetylphenyl)-3-(1H-imidazol-1-yl)butanamide
CID 24761534
1-(4-chlorophenyl)-2-[(1-phenyl-1H-imidazol-2-yl)sulfanyl]-1-ethanone
CID 3755487
4-Chloro-N-(8-imidazol-1-yl-octyl)-benzamide
CID 9884086
Vid-400
CID 10476195
(4-chlorophenyl)(1-methyl-2-(3-(piperidin-1-yl)propylamino)-1H-imidazol-5-yl)methanone
CID 11602952

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-imidazol-1-yl-4-oxo-N-phenylbutanamide?
The IUPAC name of 4-(4-chlorophenyl)-2-imidazol-1-yl-4-oxo-N-phenylbutanamide (CID 46232118) is 4-(4-chlorophenyl)-2-imidazol-1-yl-4-oxo-N-phenylbutanamide.
What is the SMILES notation for 4-(4-chlorophenyl)-2-imidazol-1-yl-4-oxo-N-phenylbutanamide?
The canonical SMILES for 4-(4-chlorophenyl)-2-imidazol-1-yl-4-oxo-N-phenylbutanamide is O=C(CC(C(=O)Nc1ccccc1)n1ccnc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-2-imidazol-1-yl-4-oxo-N-phenylbutanamide?
The InChIKey is VFNNIKMZOIWULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c20-15-8-6-14(7-9-15)18(24)12-17(23-11-10-21-13-23)19(25)22-16-4-2-1-3-5-16/h1-11,13,17H,12H2,(H,22,25).
What are the key properties of 4-(4-chlorophenyl)-2-imidazol-1-yl-4-oxo-N-phenylbutanamide?
4-(4-chlorophenyl)-2-imidazol-1-yl-4-oxo-N-phenylbutanamide has a molecular weight of 353.81 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-imidazol-1-yl-4-oxo-N-phenylbutanamide is sourced from PubChem (CID 46232118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).