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

C15H26N2O — CID 79744068

IUPAC1-(3-methylcyclohexyl)-2-(1-propylimidazol-2-yl)ethanol
SMILESCCCn1ccnc1CC(O)C1CCCC(C)C1
InChIInChI=1S/C15H26N2O/c1-3-8-17-9-7-16-15(17)11-14(18)13-6-4-5-12(2)10-13/h7,9,12-14,18H,3-6,8,10-11H2,1-2H3
InChIKeyNSRNDMRXHAKQAO-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.02
Rot. Bonds5

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

1-(3-methylcyclohexyl)-2-(1-propylimidazol-2-yl)ethanol (PubChem CID 79744068) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-(3-methylcyclohexyl)-2-(1-propylimidazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(3-methylcyclohexyl)-2-(1-propylimidazol-2-yl)ethanol
PubChem CID79744068
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-(3-methylcyclohexyl)-2-(1-propylimidazol-2-yl)ethanol
SMILESCCCn1ccnc1CC(O)C1CCCC(C)C1
InChIInChI=1S/C15H26N2O/c1-3-8-17-9-7-16-15(17)11-14(18)13-6-4-5-12(2)10-13/h7,9,12-14,18H,3-6,8,10-11H2,1-2H3
InChIKeyNSRNDMRXHAKQAO-UHFFFAOYSA-N
XLogP3.02
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.02
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-propylimidazol-2-yl)ethanol?
The IUPAC name of 1-(3-methylcyclohexyl)-2-(1-propylimidazol-2-yl)ethanol (CID 79744068) is 1-(3-methylcyclohexyl)-2-(1-propylimidazol-2-yl)ethanol.
What is the SMILES notation for 1-(3-methylcyclohexyl)-2-(1-propylimidazol-2-yl)ethanol?
The canonical SMILES for 1-(3-methylcyclohexyl)-2-(1-propylimidazol-2-yl)ethanol is CCCn1ccnc1CC(O)C1CCCC(C)C1.
What is the InChIKey of 1-(3-methylcyclohexyl)-2-(1-propylimidazol-2-yl)ethanol?
The InChIKey is NSRNDMRXHAKQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-3-8-17-9-7-16-15(17)11-14(18)13-6-4-5-12(2)10-13/h7,9,12-14,18H,3-6,8,10-11H2,1-2H3.
What are the key properties of 1-(3-methylcyclohexyl)-2-(1-propylimidazol-2-yl)ethanol?
1-(3-methylcyclohexyl)-2-(1-propylimidazol-2-yl)ethanol has a molecular weight of 250.39 g/mol, XLogP of 3.02, 5 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-propylimidazol-2-yl)ethanol is sourced from PubChem (CID 79744068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).