1-cyclobutyl-3-(1-methylimidazol-2-yl)propan-2-ol

C11H18N2O — CID 103170139

IUPAC1-cyclobutyl-3-(1-methylimidazol-2-yl)propan-2-ol
SMILESCn1ccnc1CC(O)CC1CCC1
InChIInChI=1S/C11H18N2O/c1-13-6-5-12-11(13)8-10(14)7-9-3-2-4-9/h5-6,9-10,14H,2-4,7-8H2,1H3
InChIKeyWGLIKPLWVTWXQL-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.51
Rot. Bonds4

About 1-cyclobutyl-3-(1-methylimidazol-2-yl)propan-2-ol

1-cyclobutyl-3-(1-methylimidazol-2-yl)propan-2-ol (PubChem CID 103170139) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-cyclobutyl-3-(1-methylimidazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-cyclobutyl-3-(1-methylimidazol-2-yl)propan-2-ol
PubChem CID103170139
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-cyclobutyl-3-(1-methylimidazol-2-yl)propan-2-ol
SMILESCn1ccnc1CC(O)CC1CCC1
InChIInChI=1S/C11H18N2O/c1-13-6-5-12-11(13)8-10(14)7-9-3-2-4-9/h5-6,9-10,14H,2-4,7-8H2,1H3
InChIKeyWGLIKPLWVTWXQL-UHFFFAOYSA-N
XLogP1.51
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-N-methyl-3-(1-methylimidazol-2-yl)propan-2-amine
CID 105011635
1-(cyclopropylamino)-3-(1-methylimidazol-2-yl)propan-2-ol
CID 79761950
1-cyclohexylsulfanyl-3-(1-methylimidazol-2-yl)propan-2-ol
CID 79752510
2-(1-methylimidazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanol
CID 105113600
1-(1-methylimidazol-2-yl)-3-pyridin-4-ylpropan-2-ol
CID 79752618
1-(2,2-dimethylcyclopropyl)-2-(1-methylimidazol-2-yl)ethanol
CID 107005402
1-cyclopentyl-5-(1-methylimidazol-2-yl)pentan-3-ol
CID 115838050
1-cyclobutyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol
CID 103170087
1-(1-methylcyclopentyl)-2-(1-methylimidazol-2-yl)ethanol
CID 115820564
1-cyclopropyl-N-methyl-2-(1-methylimidazol-2-yl)ethanamine
CID 63352794
1-(3-ethylcyclohexyl)-N-methyl-2-(1-methylimidazol-2-yl)ethanamine
CID 79761386
1-(6-bicyclo[3.1.0]hexanyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 115837979

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-(1-methylimidazol-2-yl)propan-2-ol?
The IUPAC name of 1-cyclobutyl-3-(1-methylimidazol-2-yl)propan-2-ol (CID 103170139) is 1-cyclobutyl-3-(1-methylimidazol-2-yl)propan-2-ol.
What is the SMILES notation for 1-cyclobutyl-3-(1-methylimidazol-2-yl)propan-2-ol?
The canonical SMILES for 1-cyclobutyl-3-(1-methylimidazol-2-yl)propan-2-ol is Cn1ccnc1CC(O)CC1CCC1.
What is the InChIKey of 1-cyclobutyl-3-(1-methylimidazol-2-yl)propan-2-ol?
The InChIKey is WGLIKPLWVTWXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-13-6-5-12-11(13)8-10(14)7-9-3-2-4-9/h5-6,9-10,14H,2-4,7-8H2,1H3.
What are the key properties of 1-cyclobutyl-3-(1-methylimidazol-2-yl)propan-2-ol?
1-cyclobutyl-3-(1-methylimidazol-2-yl)propan-2-ol has a molecular weight of 194.28 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-(1-methylimidazol-2-yl)propan-2-ol is sourced from PubChem (CID 103170139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).