[4-(2-ethylphenyl)piperazin-1-yl]-[3-(1H-imidazol-5-yl)phenyl]methanone

C22H24N4O — CID 119065881

IUPAC[4-(2-ethylphenyl)piperazin-1-yl]-[3-(1H-imidazol-5-yl)phenyl]methanone
SMILESCCc1ccccc1N1CCN(C(=O)c2cccc(-c3cnc[nH]3)c2)CC1
InChIInChI=1S/C22H24N4O/c1-2-17-6-3-4-9-21(17)25-10-12-26(13-11-25)22(27)19-8-5-7-18(14-19)20-15-23-16-24-20/h3-9,14-16H,2,10-13H2,1H3,(H,23,24)
InChIKeyLFQRGRFDNMDVPG-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.60
Rot. Bonds4

About [4-(2-ethylphenyl)piperazin-1-yl]-[3-(1H-imidazol-5-yl)phenyl]methanone

[4-(2-ethylphenyl)piperazin-1-yl]-[3-(1H-imidazol-5-yl)phenyl]methanone (PubChem CID 119065881) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is [4-(2-ethylphenyl)piperazin-1-yl]-[3-(1H-imidazol-5-yl)phenyl]methanone.

Molecular Properties

Compound Name[4-(2-ethylphenyl)piperazin-1-yl]-[3-(1H-imidazol-5-yl)phenyl]methanone
PubChem CID119065881
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name[4-(2-ethylphenyl)piperazin-1-yl]-[3-(1H-imidazol-5-yl)phenyl]methanone
SMILESCCc1ccccc1N1CCN(C(=O)c2cccc(-c3cnc[nH]3)c2)CC1
InChIInChI=1S/C22H24N4O/c1-2-17-6-3-4-9-21(17)25-10-12-26(13-11-25)22(27)19-8-5-7-18(14-19)20-15-23-16-24-20/h3-9,14-16H,2,10-13H2,1H3,(H,23,24)
InChIKeyLFQRGRFDNMDVPG-UHFFFAOYSA-N
XLogP3.60
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(2-ethylphenyl)piperazin-1-yl]-[3-(1H-imidazol-5-yl)phenyl]methanone with MolForge

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Related Compounds

[4-(2-ethylphenyl)piperazin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 74249829
(3,4-dimethylphenyl)-[4-(2-ethylphenyl)piperazin-1-yl]methanone
CID 113075800
2-[2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]acetic acid
CID 22399464
1-[4-(3-phenylbenzoyl)piperazin-1-yl]ethanone
CID 110755413
1-[3-(1H-imidazol-5-yl)phenyl]-2,2-dimethylpropan-1-one
CID 58252487
4-(2-ethylphenyl)piperazine-1-carboxamide
CID 70281213
3H-benzimidazol-5-yl-[4-[3-(hydroxymethyl)-4-pyridinyl]piperazin-1-yl]methanone
CID 154802619
[3-(5-hydroxy-2-pyridinyl)phenyl]-[4-(2-methylphenyl)-1,4-diazepan-1-yl]methanone
CID 122571578
[4-(2-methoxyphenyl)piperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone
CID 110372121
[4-(2-fluorophenyl)piperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone
CID 110372123
5-(4-benzoylpiperazin-1-yl)-3,4-dihydro-1H-quinolin-2-one
CID 13236332
[4-(2-ethoxyphenyl)piperazin-1-yl]-quinoxalin-6-ylmethanone
CID 9415301

Frequently Asked Questions

What is the IUPAC name of [4-(2-ethylphenyl)piperazin-1-yl]-[3-(1H-imidazol-5-yl)phenyl]methanone?
The IUPAC name of [4-(2-ethylphenyl)piperazin-1-yl]-[3-(1H-imidazol-5-yl)phenyl]methanone (CID 119065881) is [4-(2-ethylphenyl)piperazin-1-yl]-[3-(1H-imidazol-5-yl)phenyl]methanone.
What is the SMILES notation for [4-(2-ethylphenyl)piperazin-1-yl]-[3-(1H-imidazol-5-yl)phenyl]methanone?
The canonical SMILES for [4-(2-ethylphenyl)piperazin-1-yl]-[3-(1H-imidazol-5-yl)phenyl]methanone is CCc1ccccc1N1CCN(C(=O)c2cccc(-c3cnc[nH]3)c2)CC1.
What is the InChIKey of [4-(2-ethylphenyl)piperazin-1-yl]-[3-(1H-imidazol-5-yl)phenyl]methanone?
The InChIKey is LFQRGRFDNMDVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-2-17-6-3-4-9-21(17)25-10-12-26(13-11-25)22(27)19-8-5-7-18(14-19)20-15-23-16-24-20/h3-9,14-16H,2,10-13H2,1H3,(H,23,24).
What are the key properties of [4-(2-ethylphenyl)piperazin-1-yl]-[3-(1H-imidazol-5-yl)phenyl]methanone?
[4-(2-ethylphenyl)piperazin-1-yl]-[3-(1H-imidazol-5-yl)phenyl]methanone has a molecular weight of 360.46 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethylphenyl)piperazin-1-yl]-[3-(1H-imidazol-5-yl)phenyl]methanone is sourced from PubChem (CID 119065881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).