(4-chlorophenyl)-[4-[(4-imidazol-1-ylphenyl)methyl]piperazin-1-yl]methanone

C21H21ClN4O — CID 25022621

IUPAC(4-chlorophenyl)-[4-[(4-imidazol-1-ylphenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCN(Cc2ccc(-n3ccnc3)cc2)CC1
InChIInChI=1S/C21H21ClN4O/c22-19-5-3-18(4-6-19)21(27)25-13-11-24(12-14-25)15-17-1-7-20(8-2-17)26-10-9-23-16-26/h1-10,16H,11-15H2
InChIKeyJWVAMUPSPZLZSM-UHFFFAOYSA-N
MW380.88 g/mol
LogP3.48
Rot. Bonds4

About (4-chlorophenyl)-[4-[(4-imidazol-1-ylphenyl)methyl]piperazin-1-yl]methanone

(4-chlorophenyl)-[4-[(4-imidazol-1-ylphenyl)methyl]piperazin-1-yl]methanone (PubChem CID 25022621) has the molecular formula C21H21ClN4O and a molecular weight of 380.88 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-[(4-imidazol-1-ylphenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-[(4-imidazol-1-ylphenyl)methyl]piperazin-1-yl]methanone
PubChem CID25022621
Molecular FormulaC21H21ClN4O
Molecular Weight380.88 g/mol
Exact Mass380.14
IUPAC Name(4-chlorophenyl)-[4-[(4-imidazol-1-ylphenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCN(Cc2ccc(-n3ccnc3)cc2)CC1
InChIInChI=1S/C21H21ClN4O/c22-19-5-3-18(4-6-19)21(27)25-13-11-24(12-14-25)15-17-1-7-20(8-2-17)26-10-9-23-16-26/h1-10,16H,11-15H2
InChIKeyJWVAMUPSPZLZSM-UHFFFAOYSA-N
XLogP3.48
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-chlorophenyl)-[4-[(4-imidazol-1-ylphenyl)methyl]piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
(1-Benzyl-1h-Imidazol-4-Yl)[4-(2-Chlorophenyl)piperazin-1-Yl]methanone
CID 74983356
4'-Chloro-N-[(1r)-2-(1h-Imidazol-1-Yl)-1-Phenylethyl]biphenyl-4-Carboxamide
CID 49867822
Azole, 20
CID 11517747
(-)-4'-Chloro-N-[2-(1H-imidazol-1-yl)-1-phenylethyl]-[1,1'-biphenyl]-4-carboxamide
CID 11538619
Azole, 1
CID 53348132
4-chloro-N-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]benzamide
CID 2768252
2-chloro-N-[3-[1-(4-imidazol-1-ylphenyl)ethylamino]-3-oxopropyl]benzamide
CID 18129604
4-chloro-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)benzamide
CID 884414
[4-(1H-imidazol-1-yl)phenyl](phenyl)methanone
CID 1222494
1-(4-chlorophenyl)-2-[(1-phenyl-1H-imidazol-2-yl)sulfanyl]-1-ethanone
CID 3755487

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-[(4-imidazol-1-ylphenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-[(4-imidazol-1-ylphenyl)methyl]piperazin-1-yl]methanone (CID 25022621) is (4-chlorophenyl)-[4-[(4-imidazol-1-ylphenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-[(4-imidazol-1-ylphenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-[(4-imidazol-1-ylphenyl)methyl]piperazin-1-yl]methanone is O=C(c1ccc(Cl)cc1)N1CCN(Cc2ccc(-n3ccnc3)cc2)CC1.
What is the InChIKey of (4-chlorophenyl)-[4-[(4-imidazol-1-ylphenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is JWVAMUPSPZLZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O/c22-19-5-3-18(4-6-19)21(27)25-13-11-24(12-14-25)15-17-1-7-20(8-2-17)26-10-9-23-16-26/h1-10,16H,11-15H2.
What are the key properties of (4-chlorophenyl)-[4-[(4-imidazol-1-ylphenyl)methyl]piperazin-1-yl]methanone?
(4-chlorophenyl)-[4-[(4-imidazol-1-ylphenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 380.88 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-[(4-imidazol-1-ylphenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 25022621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).