[4-(3-chlorophenyl)piperazin-1-yl]-(3-phenylimidazol-4-yl)methanone

C20H19ClN4O — CID 17471508

IUPAC[4-(3-chlorophenyl)piperazin-1-yl]-(3-phenylimidazol-4-yl)methanone
SMILESO=C(c1cncn1-c1ccccc1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C20H19ClN4O/c21-16-5-4-8-18(13-16)23-9-11-24(12-10-23)20(26)19-14-22-15-25(19)17-6-2-1-3-7-17/h1-8,13-15H,9-12H2
InChIKeyOPHMQDYMDVBYNH-UHFFFAOYSA-N
MW366.85 g/mol
LogP3.49
Rot. Bonds3

About [4-(3-chlorophenyl)piperazin-1-yl]-(3-phenylimidazol-4-yl)methanone

[4-(3-chlorophenyl)piperazin-1-yl]-(3-phenylimidazol-4-yl)methanone (PubChem CID 17471508) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is [4-(3-chlorophenyl)piperazin-1-yl]-(3-phenylimidazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(3-chlorophenyl)piperazin-1-yl]-(3-phenylimidazol-4-yl)methanone
PubChem CID17471508
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC Name[4-(3-chlorophenyl)piperazin-1-yl]-(3-phenylimidazol-4-yl)methanone
SMILESO=C(c1cncn1-c1ccccc1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C20H19ClN4O/c21-16-5-4-8-18(13-16)23-9-11-24(12-10-23)20(26)19-14-22-15-25(19)17-6-2-1-3-7-17/h1-8,13-15H,9-12H2
InChIKeyOPHMQDYMDVBYNH-UHFFFAOYSA-N
XLogP3.49
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

azepan-1-yl-(3-phenylimidazol-4-yl)methanone
CID 60653934
[4-(3-chlorophenyl)piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 51176610
(4-ethylpiperazin-1-yl)-(3-phenylimidazol-4-yl)methanone
CID 78797284
(4-methylsulfonylpiperazin-1-yl)-(3-phenylimidazol-4-yl)methanone
CID 51252246
(4-methyl-1,4-diazepan-1-yl)-(3-phenylimidazol-4-yl)methanone
CID 78795753
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-(4-fluorophenyl)imidazole-4-carboxamide
CID 56504294
[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 1069884
[4-(3-chlorophenyl)piperazin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 110854505
[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-(3-phenylimidazol-4-yl)methanone
CID 95606856
(3-methylimidazol-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 110854226
(3-hydroxypyrrolidin-1-yl)-(3-phenylimidazol-4-yl)methanone
CID 62916077
[4-(3-chlorophenyl)piperazin-1-yl]-(2-methylpyrimidin-5-yl)methanone
CID 96588883

Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-(3-phenylimidazol-4-yl)methanone?
The IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-(3-phenylimidazol-4-yl)methanone (CID 17471508) is [4-(3-chlorophenyl)piperazin-1-yl]-(3-phenylimidazol-4-yl)methanone.
What is the SMILES notation for [4-(3-chlorophenyl)piperazin-1-yl]-(3-phenylimidazol-4-yl)methanone?
The canonical SMILES for [4-(3-chlorophenyl)piperazin-1-yl]-(3-phenylimidazol-4-yl)methanone is O=C(c1cncn1-c1ccccc1)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of [4-(3-chlorophenyl)piperazin-1-yl]-(3-phenylimidazol-4-yl)methanone?
The InChIKey is OPHMQDYMDVBYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c21-16-5-4-8-18(13-16)23-9-11-24(12-10-23)20(26)19-14-22-15-25(19)17-6-2-1-3-7-17/h1-8,13-15H,9-12H2.
What are the key properties of [4-(3-chlorophenyl)piperazin-1-yl]-(3-phenylimidazol-4-yl)methanone?
[4-(3-chlorophenyl)piperazin-1-yl]-(3-phenylimidazol-4-yl)methanone has a molecular weight of 366.85 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)piperazin-1-yl]-(3-phenylimidazol-4-yl)methanone is sourced from PubChem (CID 17471508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).