[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

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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).