2-(phenoxymethyl)-4,5-dihydro-1H-imidazole

C10H12N2O — CID 10442227

IUPAC2-(phenoxymethyl)-4,5-dihydro-1H-imidazole
SMILESc1ccc(OCC2=NCCN2)cc1
InChIInChI=1S/C10H12N2O/c1-2-4-9(5-3-1)13-8-10-11-6-7-12-10/h1-5H,6-8H2,(H,11,12)
InChIKeyGRMJZZBFHKTYDJ-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.07
Rot. Bonds3

About 2-(phenoxymethyl)-4,5-dihydro-1H-imidazole

2-(phenoxymethyl)-4,5-dihydro-1H-imidazole (PubChem CID 10442227) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-(phenoxymethyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(phenoxymethyl)-4,5-dihydro-1H-imidazole
PubChem CID10442227
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name2-(phenoxymethyl)-4,5-dihydro-1H-imidazole
SMILESc1ccc(OCC2=NCCN2)cc1
InChIInChI=1S/C10H12N2O/c1-2-4-9(5-3-1)13-8-10-11-6-7-12-10/h1-5H,6-8H2,(H,11,12)
InChIKeyGRMJZZBFHKTYDJ-UHFFFAOYSA-N
XLogP1.07
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(phenoxymethyl)-4,5-dihydro-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-(phenoxymethyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-(phenoxymethyl)-4,5-dihydro-1H-imidazole (CID 10442227) is 2-(phenoxymethyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-(phenoxymethyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-(phenoxymethyl)-4,5-dihydro-1H-imidazole is c1ccc(OCC2=NCCN2)cc1.
What is the InChIKey of 2-(phenoxymethyl)-4,5-dihydro-1H-imidazole?
The InChIKey is GRMJZZBFHKTYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-2-4-9(5-3-1)13-8-10-11-6-7-12-10/h1-5H,6-8H2,(H,11,12).
What are the key properties of 2-(phenoxymethyl)-4,5-dihydro-1H-imidazole?
2-(phenoxymethyl)-4,5-dihydro-1H-imidazole has a molecular weight of 176.22 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenoxymethyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 10442227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).