2-[(2-methyl-1,3-dioxolan-2-yl)methyl]-1H-imidazole

C8H12N2O2 — CID 125455900

IUPAC2-[(2-methyl-1,3-dioxolan-2-yl)methyl]-1H-imidazole
SMILESCC1(Cc2ncc[nH]2)OCCO1
InChIInChI=1S/C8H12N2O2/c1-8(11-4-5-12-8)6-7-9-2-3-10-7/h2-3H,4-6H2,1H3,(H,9,10)
InChIKeyLIAAIOMJCMXDMY-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.72
Rot. Bonds2

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

2-[(2-methyl-1,3-dioxolan-2-yl)methyl]-1H-imidazole (PubChem CID 125455900) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-[(2-methyl-1,3-dioxolan-2-yl)methyl]-1H-imidazole.

Molecular Properties

Compound Name2-[(2-methyl-1,3-dioxolan-2-yl)methyl]-1H-imidazole
PubChem CID125455900
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name2-[(2-methyl-1,3-dioxolan-2-yl)methyl]-1H-imidazole
SMILESCC1(Cc2ncc[nH]2)OCCO1
InChIInChI=1S/C8H12N2O2/c1-8(11-4-5-12-8)6-7-9-2-3-10-7/h2-3H,4-6H2,1H3,(H,9,10)
InChIKeyLIAAIOMJCMXDMY-UHFFFAOYSA-N
XLogP0.72
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2-methyl-1,3-dioxolan-2-yl)methyl]-1H-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 2-[(2-methyl-1,3-dioxolan-2-yl)methyl]-1H-imidazole?
The IUPAC name of 2-[(2-methyl-1,3-dioxolan-2-yl)methyl]-1H-imidazole (CID 125455900) is 2-[(2-methyl-1,3-dioxolan-2-yl)methyl]-1H-imidazole.
What is the SMILES notation for 2-[(2-methyl-1,3-dioxolan-2-yl)methyl]-1H-imidazole?
The canonical SMILES for 2-[(2-methyl-1,3-dioxolan-2-yl)methyl]-1H-imidazole is CC1(Cc2ncc[nH]2)OCCO1.
What is the InChIKey of 2-[(2-methyl-1,3-dioxolan-2-yl)methyl]-1H-imidazole?
The InChIKey is LIAAIOMJCMXDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-8(11-4-5-12-8)6-7-9-2-3-10-7/h2-3H,4-6H2,1H3,(H,9,10).
What are the key properties of 2-[(2-methyl-1,3-dioxolan-2-yl)methyl]-1H-imidazole?
2-[(2-methyl-1,3-dioxolan-2-yl)methyl]-1H-imidazole has a molecular weight of 168.20 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1,3-dioxolan-2-yl)methyl]-1H-imidazole is sourced from PubChem (CID 125455900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).