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

C17H28N2O — CID 79744289

IUPAC1-(4-tert-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)ethanone
SMILESCCn1ccnc1CC(=O)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H28N2O/c1-5-19-11-10-18-16(19)12-15(20)13-6-8-14(9-7-13)17(2,3)4/h10-11,13-14H,5-9,12H2,1-4H3
InChIKeyCLGOZGHQCRUFQC-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.87
Rot. Bonds4

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

1-(4-tert-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)ethanone (PubChem CID 79744289) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-(4-tert-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-tert-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)ethanone
PubChem CID79744289
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-(4-tert-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)ethanone
SMILESCCn1ccnc1CC(=O)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H28N2O/c1-5-19-11-10-18-16(19)12-15(20)13-6-8-14(9-7-13)17(2,3)4/h10-11,13-14H,5-9,12H2,1-4H3
InChIKeyCLGOZGHQCRUFQC-UHFFFAOYSA-N
XLogP3.87
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-tert-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)ethanone with MolForge

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Related Compounds

2-(1-ethylimidazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanone
CID 105115224
1-cyclobutyl-2-(1-ethylimidazol-2-yl)ethanone
CID 79744561
1-(4-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 115783452
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-[2-(aminomethyl)cyclopentyl]-2-(1-ethylimidazol-2-yl)ethanone
CID 116584210
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(1-ethylimidazol-2-yl)ethanone
CID 79970332
1-cyclopropyl-3-(1-ethylimidazol-2-yl)-1-hydroxypropan-2-one
CID 103455919
1-(1,4-dimethylpiperazin-2-yl)-2-(1-ethylimidazol-2-yl)ethanone
CID 79744941
1-(4-tert-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine
CID 79751362
1-[1-(dimethylamino)-4-methylcyclohexyl]-2-(1-ethylimidazol-2-yl)ethanone
CID 79744573
1-(1,4-dithian-2-yl)-2-(1-ethylimidazol-2-yl)ethanone
CID 79972065

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)ethanone?
The IUPAC name of 1-(4-tert-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)ethanone (CID 79744289) is 1-(4-tert-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)ethanone.
What is the SMILES notation for 1-(4-tert-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)ethanone?
The canonical SMILES for 1-(4-tert-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)ethanone is CCn1ccnc1CC(=O)C1CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-(4-tert-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)ethanone?
The InChIKey is CLGOZGHQCRUFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-19-11-10-18-16(19)12-15(20)13-6-8-14(9-7-13)17(2,3)4/h10-11,13-14H,5-9,12H2,1-4H3.
What are the key properties of 1-(4-tert-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)ethanone?
1-(4-tert-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)ethanone has a molecular weight of 276.42 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)ethanone is sourced from PubChem (CID 79744289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).