2-(1-ethylimidazol-2-yl)-1-(1-hydroxycyclohexyl)ethanone

C13H20N2O2 — CID 103449747

IUPAC2-(1-ethylimidazol-2-yl)-1-(1-hydroxycyclohexyl)ethanone
SMILESCCn1ccnc1CC(=O)C1(O)CCCCC1
InChIInChI=1S/C13H20N2O2/c1-2-15-9-8-14-12(15)10-11(16)13(17)6-4-3-5-7-13/h8-9,17H,2-7,10H2,1H3
InChIKeyDWKOTLLKASIZIC-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.71
Rot. Bonds4

About 2-(1-ethylimidazol-2-yl)-1-(1-hydroxycyclohexyl)ethanone

2-(1-ethylimidazol-2-yl)-1-(1-hydroxycyclohexyl)ethanone (PubChem CID 103449747) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(1-ethylimidazol-2-yl)-1-(1-hydroxycyclohexyl)ethanone.

Molecular Properties

Compound Name2-(1-ethylimidazol-2-yl)-1-(1-hydroxycyclohexyl)ethanone
PubChem CID103449747
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-(1-ethylimidazol-2-yl)-1-(1-hydroxycyclohexyl)ethanone
SMILESCCn1ccnc1CC(=O)C1(O)CCCCC1
InChIInChI=1S/C13H20N2O2/c1-2-15-9-8-14-12(15)10-11(16)13(17)6-4-3-5-7-13/h8-9,17H,2-7,10H2,1H3
InChIKeyDWKOTLLKASIZIC-UHFFFAOYSA-N
XLogP1.71
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-hydroxycyclohexyl)-2-(1-propylimidazol-2-yl)ethanone
CID 103449553
1-(1-hydroxycycloheptyl)-2-(1-methylimidazol-2-yl)ethanone
CID 103450287
2-(1-ethylimidazol-2-yl)-1-(1-methoxycyclobutyl)ethanone
CID 116707035
1-(1-aminocyclobutyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 116598354
1-(1-ethylimidazol-2-yl)-3-(1-methoxycyclobutyl)propan-2-one
CID 103558888
1-[(1-ethylimidazol-2-yl)methyl]cycloheptan-1-ol
CID 79744578
1-[1-(dimethylamino)cyclohexyl]-2-(1-propylimidazol-2-yl)ethanone
CID 79744387
1-[1-(dimethylamino)-4-methylcyclohexyl]-2-(1-ethylimidazol-2-yl)ethanone
CID 79744573
1-[1-(aminomethyl)cyclohexyl]-2-(1-propylimidazol-2-yl)ethanone
CID 116600658
1-cyclobutyl-2-(1-ethylimidazol-2-yl)ethanone
CID 79744561
1-(4,4-difluorocyclohexyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 105115196
2-(1-ethylimidazol-2-yl)-1-(1-methoxycyclohexyl)ethanol
CID 116753292

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylimidazol-2-yl)-1-(1-hydroxycyclohexyl)ethanone?
The IUPAC name of 2-(1-ethylimidazol-2-yl)-1-(1-hydroxycyclohexyl)ethanone (CID 103449747) is 2-(1-ethylimidazol-2-yl)-1-(1-hydroxycyclohexyl)ethanone.
What is the SMILES notation for 2-(1-ethylimidazol-2-yl)-1-(1-hydroxycyclohexyl)ethanone?
The canonical SMILES for 2-(1-ethylimidazol-2-yl)-1-(1-hydroxycyclohexyl)ethanone is CCn1ccnc1CC(=O)C1(O)CCCCC1.
What is the InChIKey of 2-(1-ethylimidazol-2-yl)-1-(1-hydroxycyclohexyl)ethanone?
The InChIKey is DWKOTLLKASIZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-2-15-9-8-14-12(15)10-11(16)13(17)6-4-3-5-7-13/h8-9,17H,2-7,10H2,1H3.
What are the key properties of 2-(1-ethylimidazol-2-yl)-1-(1-hydroxycyclohexyl)ethanone?
2-(1-ethylimidazol-2-yl)-1-(1-hydroxycyclohexyl)ethanone has a molecular weight of 236.31 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylimidazol-2-yl)-1-(1-hydroxycyclohexyl)ethanone is sourced from PubChem (CID 103449747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).