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

C12H20N2O2 — CID 114529819

IUPAC3-(1-methylimidazol-2-yl)-1-(2-methyloxolan-2-yl)propan-1-ol
SMILESCn1ccnc1CCC(O)C1(C)CCCO1
InChIInChI=1S/C12H20N2O2/c1-12(6-3-9-16-12)10(15)4-5-11-13-7-8-14(11)2/h7-8,10,15H,3-6,9H2,1-2H3
InChIKeyHBDBQYNUNRKJPX-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.28
Rot. Bonds4

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

3-(1-methylimidazol-2-yl)-1-(2-methyloxolan-2-yl)propan-1-ol (PubChem CID 114529819) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-(1-methylimidazol-2-yl)-1-(2-methyloxolan-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(1-methylimidazol-2-yl)-1-(2-methyloxolan-2-yl)propan-1-ol
PubChem CID114529819
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name3-(1-methylimidazol-2-yl)-1-(2-methyloxolan-2-yl)propan-1-ol
SMILESCn1ccnc1CCC(O)C1(C)CCCO1
InChIInChI=1S/C12H20N2O2/c1-12(6-3-9-16-12)10(15)4-5-11-13-7-8-14(11)2/h7-8,10,15H,3-6,9H2,1-2H3
InChIKeyHBDBQYNUNRKJPX-UHFFFAOYSA-N
XLogP1.28
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(1-methylimidazol-2-yl)-1-(2-methyloxolan-2-yl)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(dimethylamino)cyclohexyl]-3-(1-methylimidazol-2-yl)propan-1-ol
CID 114529797
1-(1-ethoxycycloheptyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 114529884
1-(1-adamantyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 114529718
1-(1-methylcyclopentyl)-2-(1-methylimidazol-2-yl)ethanol
CID 115820564
1-(3-methyl-1-adamantyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 115838051
3-(1-methylimidazol-2-yl)-1-(oxan-2-yl)propan-1-ol
CID 115838015
1-[1-amino-3-(1-methylimidazol-2-yl)propyl]-N,N-dimethylcyclohexan-1-amine
CID 114530454
1-methyl-2-(3-methylbutyl)imidazole
CID 68983412
1-(1-methylimidazol-2-yl)heptane-3,4-diol
CID 103455046
2-[2-[1-(1-chloroethyl)cyclopropyl]ethyl]-1-methylimidazole
CID 106798396
4-[2-(1-methylimidazol-2-yl)ethyl]oxan-4-ol
CID 114529027
1-cyclopentyl-5-(1-methylimidazol-2-yl)pentan-3-ol
CID 115838050

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylimidazol-2-yl)-1-(2-methyloxolan-2-yl)propan-1-ol?
The IUPAC name of 3-(1-methylimidazol-2-yl)-1-(2-methyloxolan-2-yl)propan-1-ol (CID 114529819) is 3-(1-methylimidazol-2-yl)-1-(2-methyloxolan-2-yl)propan-1-ol.
What is the SMILES notation for 3-(1-methylimidazol-2-yl)-1-(2-methyloxolan-2-yl)propan-1-ol?
The canonical SMILES for 3-(1-methylimidazol-2-yl)-1-(2-methyloxolan-2-yl)propan-1-ol is Cn1ccnc1CCC(O)C1(C)CCCO1.
What is the InChIKey of 3-(1-methylimidazol-2-yl)-1-(2-methyloxolan-2-yl)propan-1-ol?
The InChIKey is HBDBQYNUNRKJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-12(6-3-9-16-12)10(15)4-5-11-13-7-8-14(11)2/h7-8,10,15H,3-6,9H2,1-2H3.
What are the key properties of 3-(1-methylimidazol-2-yl)-1-(2-methyloxolan-2-yl)propan-1-ol?
3-(1-methylimidazol-2-yl)-1-(2-methyloxolan-2-yl)propan-1-ol has a molecular weight of 224.30 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylimidazol-2-yl)-1-(2-methyloxolan-2-yl)propan-1-ol is sourced from PubChem (CID 114529819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).