1-(4-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)ethanone

C17H28N2O — CID 115783452

IUPAC1-(4-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)ethanone
SMILESCCCCC1CCC(C(=O)Cc2nccn2CC)CC1
InChIInChI=1S/C17H28N2O/c1-3-5-6-14-7-9-15(10-8-14)16(20)13-17-18-11-12-19(17)4-2/h11-12,14-15H,3-10,13H2,1-2H3
InChIKeyQPGCGXCJKPDIPJ-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.01
Rot. Bonds7

About 1-(4-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)ethanone

1-(4-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)ethanone (PubChem CID 115783452) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-(4-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)ethanone
PubChem CID115783452
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-(4-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)ethanone
SMILESCCCCC1CCC(C(=O)Cc2nccn2CC)CC1
InChIInChI=1S/C17H28N2O/c1-3-5-6-14-7-9-15(10-8-14)16(20)13-17-18-11-12-19(17)4-2/h11-12,14-15H,3-10,13H2,1-2H3
InChIKeyQPGCGXCJKPDIPJ-UHFFFAOYSA-N
XLogP4.01
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)ethanone 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

1-(4-tert-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 79744289
2-(1-ethylimidazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanone
CID 105115224
1-cyclobutyl-2-(1-ethylimidazol-2-yl)ethanone
CID 79744561
1-(4,4-difluorocyclohexyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 105115196
1-(3-bicyclo[3.1.0]hexanyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 115783536
1-(4-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)ethanol
CID 115819272
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(1-ethylimidazol-2-yl)ethanone
CID 79970332
1-(4-butylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 114975639
1-(4-butylcyclohexyl)-2-pyridin-3-ylethanone
CID 115798988
1-(1,4-dimethylpiperazin-2-yl)-2-(1-ethylimidazol-2-yl)ethanone
CID 79744941
1-[2-(aminomethyl)cyclopentyl]-2-(1-ethylimidazol-2-yl)ethanone
CID 116584210
1-cyclopropyl-3-(1-ethylimidazol-2-yl)-1-hydroxypropan-2-one
CID 103455919

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)ethanone?
The IUPAC name of 1-(4-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)ethanone (CID 115783452) is 1-(4-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)ethanone.
What is the SMILES notation for 1-(4-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)ethanone?
The canonical SMILES for 1-(4-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)ethanone is CCCCC1CCC(C(=O)Cc2nccn2CC)CC1.
What is the InChIKey of 1-(4-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)ethanone?
The InChIKey is QPGCGXCJKPDIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-5-6-14-7-9-15(10-8-14)16(20)13-17-18-11-12-19(17)4-2/h11-12,14-15H,3-10,13H2,1-2H3.
What are the key properties of 1-(4-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)ethanone?
1-(4-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)ethanone has a molecular weight of 276.42 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)ethanone is sourced from PubChem (CID 115783452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).