1-(3-methylcyclohexyl)-2-(1-methylimidazol-2-yl)ethanol

C13H22N2O — CID 79743979

IUPAC1-(3-methylcyclohexyl)-2-(1-methylimidazol-2-yl)ethanol
SMILESCC1CCCC(C(O)Cc2nccn2C)C1
InChIInChI=1S/C13H22N2O/c1-10-4-3-5-11(8-10)12(16)9-13-14-6-7-15(13)2/h6-7,10-12,16H,3-5,8-9H2,1-2H3
InChIKeyROTHAONZFDNMDA-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.15
Rot. Bonds3

About 1-(3-methylcyclohexyl)-2-(1-methylimidazol-2-yl)ethanol

1-(3-methylcyclohexyl)-2-(1-methylimidazol-2-yl)ethanol (PubChem CID 79743979) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(3-methylcyclohexyl)-2-(1-methylimidazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(3-methylcyclohexyl)-2-(1-methylimidazol-2-yl)ethanol
PubChem CID79743979
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-(3-methylcyclohexyl)-2-(1-methylimidazol-2-yl)ethanol
SMILESCC1CCCC(C(O)Cc2nccn2C)C1
InChIInChI=1S/C13H22N2O/c1-10-4-3-5-11(8-10)12(16)9-13-14-6-7-15(13)2/h6-7,10-12,16H,3-5,8-9H2,1-2H3
InChIKeyROTHAONZFDNMDA-UHFFFAOYSA-N
XLogP2.15
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylcyclohexyl)-2-(1-methylimidazol-2-yl)ethanol?
The IUPAC name of 1-(3-methylcyclohexyl)-2-(1-methylimidazol-2-yl)ethanol (CID 79743979) is 1-(3-methylcyclohexyl)-2-(1-methylimidazol-2-yl)ethanol.
What is the SMILES notation for 1-(3-methylcyclohexyl)-2-(1-methylimidazol-2-yl)ethanol?
The canonical SMILES for 1-(3-methylcyclohexyl)-2-(1-methylimidazol-2-yl)ethanol is CC1CCCC(C(O)Cc2nccn2C)C1.
What is the InChIKey of 1-(3-methylcyclohexyl)-2-(1-methylimidazol-2-yl)ethanol?
The InChIKey is ROTHAONZFDNMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-10-4-3-5-11(8-10)12(16)9-13-14-6-7-15(13)2/h6-7,10-12,16H,3-5,8-9H2,1-2H3.
What are the key properties of 1-(3-methylcyclohexyl)-2-(1-methylimidazol-2-yl)ethanol?
1-(3-methylcyclohexyl)-2-(1-methylimidazol-2-yl)ethanol has a molecular weight of 222.33 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylcyclohexyl)-2-(1-methylimidazol-2-yl)ethanol is sourced from PubChem (CID 79743979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).