1-[(5-methyloxolan-2-yl)methyl]imidazole

C9H14N2O — CID 103140191

IUPAC1-[(5-methyloxolan-2-yl)methyl]imidazole
SMILESCC1CCC(Cn2ccnc2)O1
InChIInChI=1S/C9H14N2O/c1-8-2-3-9(12-8)6-11-5-4-10-7-11/h4-5,7-9H,2-3,6H2,1H3
InChIKeyUYEYDXPKOOCAAF-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.45
Rot. Bonds2

About 1-[(5-methyloxolan-2-yl)methyl]imidazole

1-[(5-methyloxolan-2-yl)methyl]imidazole (PubChem CID 103140191) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-[(5-methyloxolan-2-yl)methyl]imidazole.

Molecular Properties

Compound Name1-[(5-methyloxolan-2-yl)methyl]imidazole
PubChem CID103140191
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name1-[(5-methyloxolan-2-yl)methyl]imidazole
SMILESCC1CCC(Cn2ccnc2)O1
InChIInChI=1S/C9H14N2O/c1-8-2-3-9(12-8)6-11-5-4-10-7-11/h4-5,7-9H,2-3,6H2,1H3
InChIKeyUYEYDXPKOOCAAF-UHFFFAOYSA-N
XLogP1.45
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(5-methyloxolan-2-yl)methyl]imidazole 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

2-bromo-1-(oxan-2-yl)-1H-imidazole
CID 45588153
rac-(2R,3R)-2-(1-methyl-1H-imidazol-2-yl)oxolan-3-amine dihydrochloride
CID 137833651
1-(2-Propoxyethyl)imidazole
CID 22409062
1-(Tetrahydro-2H-pyran-2-yl)-1H-imidazole
CID 58743621
Methyl 3-[(1-methylimidazol-2-yl)methyl-(oxolan-2-ylmethyl)amino]propanoate
CID 56790957
2-(1-Ethoxyethyl)-1-(oxolan-2-ylmethyl)imidazole
CID 86793090
1-Methyl-3-[2-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexoxy)ethyl]imidazol-1-ium
CID 132595457
2-Chloro-1-(tetrahydro-2H-pyran-2-YL)-1H-imidazole
CID 45588152
[(2R,5S)-5-(1H-imidazol-2-yl)oxolan-2-yl]methanamine
CID 91396399
2-chloro-1-[(2R)-oxan-2-yl]imidazole
CID 93478424
1-Butyl-3-(2-methoxyethyl)imidazolium bromide
CID 132280278
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxolan-2-yl)methanamine
CID 43111975

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyloxolan-2-yl)methyl]imidazole?
The IUPAC name of 1-[(5-methyloxolan-2-yl)methyl]imidazole (CID 103140191) is 1-[(5-methyloxolan-2-yl)methyl]imidazole.
What is the SMILES notation for 1-[(5-methyloxolan-2-yl)methyl]imidazole?
The canonical SMILES for 1-[(5-methyloxolan-2-yl)methyl]imidazole is CC1CCC(Cn2ccnc2)O1.
What is the InChIKey of 1-[(5-methyloxolan-2-yl)methyl]imidazole?
The InChIKey is UYEYDXPKOOCAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-8-2-3-9(12-8)6-11-5-4-10-7-11/h4-5,7-9H,2-3,6H2,1H3.
What are the key properties of 1-[(5-methyloxolan-2-yl)methyl]imidazole?
1-[(5-methyloxolan-2-yl)methyl]imidazole has a molecular weight of 166.22 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyloxolan-2-yl)methyl]imidazole is sourced from PubChem (CID 103140191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).