1-(2-methyl-1,3-dioxolan-2-yl)imidazole

C7H10N2O2 — CID 66688291

IUPAC1-(2-methyl-1,3-dioxolan-2-yl)imidazole
SMILESCC1(n2ccnc2)OCCO1
InChIInChI=1S/C7H10N2O2/c1-7(10-4-5-11-7)9-3-2-8-6-9/h2-3,6H,4-5H2,1H3
InChIKeyIQHMRYBBVYKLBV-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.56
Rot. Bonds1

About 1-(2-methyl-1,3-dioxolan-2-yl)imidazole

1-(2-methyl-1,3-dioxolan-2-yl)imidazole (PubChem CID 66688291) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 1-(2-methyl-1,3-dioxolan-2-yl)imidazole.

Molecular Properties

Compound Name1-(2-methyl-1,3-dioxolan-2-yl)imidazole
PubChem CID66688291
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name1-(2-methyl-1,3-dioxolan-2-yl)imidazole
SMILESCC1(n2ccnc2)OCCO1
InChIInChI=1S/C7H10N2O2/c1-7(10-4-5-11-7)9-3-2-8-6-9/h2-3,6H,4-5H2,1H3
InChIKeyIQHMRYBBVYKLBV-UHFFFAOYSA-N
XLogP0.56
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2-methyl-1,3-dioxolan-2-yl)imidazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,3-dioxolan-2-yl)imidazole?
The IUPAC name of 1-(2-methyl-1,3-dioxolan-2-yl)imidazole (CID 66688291) is 1-(2-methyl-1,3-dioxolan-2-yl)imidazole.
What is the SMILES notation for 1-(2-methyl-1,3-dioxolan-2-yl)imidazole?
The canonical SMILES for 1-(2-methyl-1,3-dioxolan-2-yl)imidazole is CC1(n2ccnc2)OCCO1.
What is the InChIKey of 1-(2-methyl-1,3-dioxolan-2-yl)imidazole?
The InChIKey is IQHMRYBBVYKLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-7(10-4-5-11-7)9-3-2-8-6-9/h2-3,6H,4-5H2,1H3.
What are the key properties of 1-(2-methyl-1,3-dioxolan-2-yl)imidazole?
1-(2-methyl-1,3-dioxolan-2-yl)imidazole has a molecular weight of 154.17 g/mol, XLogP of 0.56, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,3-dioxolan-2-yl)imidazole is sourced from PubChem (CID 66688291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).