[2-(4-ethylphenyl)piperazin-1-yl]-(3-imidazol-1-ylphenyl)methanone

C22H24N4O — CID 120740821

IUPAC[2-(4-ethylphenyl)piperazin-1-yl]-(3-imidazol-1-ylphenyl)methanone
SMILESCCc1ccc(C2CNCCN2C(=O)c2cccc(-n3ccnc3)c2)cc1
InChIInChI=1S/C22H24N4O/c1-2-17-6-8-18(9-7-17)21-15-23-11-13-26(21)22(27)19-4-3-5-20(14-19)25-12-10-24-16-25/h3-10,12,14,16,21,23H,2,11,13,15H2,1H3
InChIKeyMHLAIIHDWJXDBB-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.22
Rot. Bonds4

About [2-(4-ethylphenyl)piperazin-1-yl]-(3-imidazol-1-ylphenyl)methanone

[2-(4-ethylphenyl)piperazin-1-yl]-(3-imidazol-1-ylphenyl)methanone (PubChem CID 120740821) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is [2-(4-ethylphenyl)piperazin-1-yl]-(3-imidazol-1-ylphenyl)methanone.

Molecular Properties

Compound Name[2-(4-ethylphenyl)piperazin-1-yl]-(3-imidazol-1-ylphenyl)methanone
PubChem CID120740821
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name[2-(4-ethylphenyl)piperazin-1-yl]-(3-imidazol-1-ylphenyl)methanone
SMILESCCc1ccc(C2CNCCN2C(=O)c2cccc(-n3ccnc3)c2)cc1
InChIInChI=1S/C22H24N4O/c1-2-17-6-8-18(9-7-17)21-15-23-11-13-26(21)22(27)19-4-3-5-20(14-19)25-12-10-24-16-25/h3-10,12,14,16,21,23H,2,11,13,15H2,1H3
InChIKeyMHLAIIHDWJXDBB-UHFFFAOYSA-N
XLogP3.22
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[2-(4-ethylphenyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 120740222
[2-(4-ethylphenyl)piperazin-1-yl]-(1-pyridin-3-ylpyrazol-4-yl)methanone;dihydrochloride
CID 120740576
1-[[3-[2-(4-ethylphenyl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one;hydrochloride
CID 120741192
4-[2-(4-ethylphenyl)piperazine-1-carbonyl]benzamide;hydrochloride
CID 120740508
[2-(4-ethylphenyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone;hydrochloride
CID 120741506
(3-chloro-4-pyridinyl)-[2-(4-ethylphenyl)piperazin-1-yl]methanone;dihydrochloride
CID 120740616
[2-(4-ethylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 120740519
6-[2-(4-ethylphenyl)piperazine-1-carbonyl]-2-phenylpyridazin-3-one
CID 120740250
[2-(4-ethylphenyl)piperazin-1-yl]-[4-(1,3-oxazol-5-yl)phenyl]methanone
CID 120741073
[2-(4-ethylphenyl)piperazin-1-yl]-(1-ethylpyrazol-4-yl)methanone
CID 120740889
[2-(4-ethylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride
CID 120740518
3-[2-(4-ethylphenyl)piperazine-1-carbonyl]-1-methylpyridin-2-one;hydrochloride
CID 120740205

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethylphenyl)piperazin-1-yl]-(3-imidazol-1-ylphenyl)methanone?
The IUPAC name of [2-(4-ethylphenyl)piperazin-1-yl]-(3-imidazol-1-ylphenyl)methanone (CID 120740821) is [2-(4-ethylphenyl)piperazin-1-yl]-(3-imidazol-1-ylphenyl)methanone.
What is the SMILES notation for [2-(4-ethylphenyl)piperazin-1-yl]-(3-imidazol-1-ylphenyl)methanone?
The canonical SMILES for [2-(4-ethylphenyl)piperazin-1-yl]-(3-imidazol-1-ylphenyl)methanone is CCc1ccc(C2CNCCN2C(=O)c2cccc(-n3ccnc3)c2)cc1.
What is the InChIKey of [2-(4-ethylphenyl)piperazin-1-yl]-(3-imidazol-1-ylphenyl)methanone?
The InChIKey is MHLAIIHDWJXDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-2-17-6-8-18(9-7-17)21-15-23-11-13-26(21)22(27)19-4-3-5-20(14-19)25-12-10-24-16-25/h3-10,12,14,16,21,23H,2,11,13,15H2,1H3.
What are the key properties of [2-(4-ethylphenyl)piperazin-1-yl]-(3-imidazol-1-ylphenyl)methanone?
[2-(4-ethylphenyl)piperazin-1-yl]-(3-imidazol-1-ylphenyl)methanone has a molecular weight of 360.46 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethylphenyl)piperazin-1-yl]-(3-imidazol-1-ylphenyl)methanone is sourced from PubChem (CID 120740821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).