[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-(2-methylphenyl)methanone

C17H22N4O — CID 25284874

IUPAC[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-(2-methylphenyl)methanone
SMILESCCn1ccnc1N1CCN(C(=O)c2ccccc2C)CC1
InChIInChI=1S/C17H22N4O/c1-3-19-9-8-18-17(19)21-12-10-20(11-13-21)16(22)15-7-5-4-6-14(15)2/h4-9H,3,10-13H2,1-2H3
InChIKeyNOUPXSXVKNZFGN-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.17
Rot. Bonds3

About [4-(1-ethylimidazol-2-yl)piperazin-1-yl]-(2-methylphenyl)methanone

[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-(2-methylphenyl)methanone (PubChem CID 25284874) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is [4-(1-ethylimidazol-2-yl)piperazin-1-yl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-(2-methylphenyl)methanone
PubChem CID25284874
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-(2-methylphenyl)methanone
SMILESCCn1ccnc1N1CCN(C(=O)c2ccccc2C)CC1
InChIInChI=1S/C17H22N4O/c1-3-19-9-8-18-17(19)21-12-10-20(11-13-21)16(22)15-7-5-4-6-14(15)2/h4-9H,3,10-13H2,1-2H3
InChIKeyNOUPXSXVKNZFGN-UHFFFAOYSA-N
XLogP2.17
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(1-ethylimidazol-2-yl)piperazin-1-yl]-(2-methylphenyl)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-(1-ethylimidazol-2-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 25284890
(2-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 896524
1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-2-phenylethanone;hydrochloride
CID 45284224
[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-(3-fluorophenyl)methanone;hydrochloride
CID 71779994
1-benzofuran-2-yl-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 45284243
(3,5-dimethoxyphenyl)-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 71779993
1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-2-phenoxypropan-1-one;hydrochloride
CID 45284215
[4-(4-hydroxyphenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 78777425
(1-ethylimidazol-2-yl)-(2-methylphenyl)methanone
CID 61316085
[4-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 72882305
N,N-diethyl-4-[4-(1-ethylimidazol-2-yl)piperazine-1-carbonyl]benzenesulfonamide
CID 25284951
ethyl 4-(2-methylbenzoyl)piperazine-1-carboxylate
CID 969363

Frequently Asked Questions

What is the IUPAC name of [4-(1-ethylimidazol-2-yl)piperazin-1-yl]-(2-methylphenyl)methanone?
The IUPAC name of [4-(1-ethylimidazol-2-yl)piperazin-1-yl]-(2-methylphenyl)methanone (CID 25284874) is [4-(1-ethylimidazol-2-yl)piperazin-1-yl]-(2-methylphenyl)methanone.
What is the SMILES notation for [4-(1-ethylimidazol-2-yl)piperazin-1-yl]-(2-methylphenyl)methanone?
The canonical SMILES for [4-(1-ethylimidazol-2-yl)piperazin-1-yl]-(2-methylphenyl)methanone is CCn1ccnc1N1CCN(C(=O)c2ccccc2C)CC1.
What is the InChIKey of [4-(1-ethylimidazol-2-yl)piperazin-1-yl]-(2-methylphenyl)methanone?
The InChIKey is NOUPXSXVKNZFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-3-19-9-8-18-17(19)21-12-10-20(11-13-21)16(22)15-7-5-4-6-14(15)2/h4-9H,3,10-13H2,1-2H3.
What are the key properties of [4-(1-ethylimidazol-2-yl)piperazin-1-yl]-(2-methylphenyl)methanone?
[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-(2-methylphenyl)methanone has a molecular weight of 298.39 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-ethylimidazol-2-yl)piperazin-1-yl]-(2-methylphenyl)methanone is sourced from PubChem (CID 25284874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).