2-(3,4-dimethoxyphenyl)-1-[[(2R)-oxan-2-yl]methyl]imidazole

C17H22N2O3 — CID 95561123

IUPAC2-(3,4-dimethoxyphenyl)-1-[[(2R)-oxan-2-yl]methyl]imidazole
SMILESCOc1ccc(-c2nccn2C[C@H]2CCCCO2)cc1OC
InChIInChI=1S/C17H22N2O3/c1-20-15-7-6-13(11-16(15)21-2)17-18-8-9-19(17)12-14-5-3-4-10-22-14/h6-9,11,14H,3-5,10,12H2,1-2H3/t14-/m1/s1
InChIKeyXREOPJHJRBFQGW-CQSZACIVSA-N
MW302.37 g/mol
LogP3.14
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)-1-[[(2R)-oxan-2-yl]methyl]imidazole

2-(3,4-dimethoxyphenyl)-1-[[(2R)-oxan-2-yl]methyl]imidazole (PubChem CID 95561123) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-1-[[(2R)-oxan-2-yl]methyl]imidazole.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-1-[[(2R)-oxan-2-yl]methyl]imidazole
PubChem CID95561123
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name2-(3,4-dimethoxyphenyl)-1-[[(2R)-oxan-2-yl]methyl]imidazole
SMILESCOc1ccc(-c2nccn2C[C@H]2CCCCO2)cc1OC
InChIInChI=1S/C17H22N2O3/c1-20-15-7-6-13(11-16(15)21-2)17-18-8-9-19(17)12-14-5-3-4-10-22-14/h6-9,11,14H,3-5,10,12H2,1-2H3/t14-/m1/s1
InChIKeyXREOPJHJRBFQGW-CQSZACIVSA-N
XLogP3.14
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(3,4-dimethoxyphenyl)-1-[[(2R)-oxan-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

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-1-[[(2R)-oxan-2-yl]methyl]imidazole?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-1-[[(2R)-oxan-2-yl]methyl]imidazole (CID 95561123) is 2-(3,4-dimethoxyphenyl)-1-[[(2R)-oxan-2-yl]methyl]imidazole.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-1-[[(2R)-oxan-2-yl]methyl]imidazole?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-1-[[(2R)-oxan-2-yl]methyl]imidazole is COc1ccc(-c2nccn2C[C@H]2CCCCO2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-1-[[(2R)-oxan-2-yl]methyl]imidazole?
The InChIKey is XREOPJHJRBFQGW-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-20-15-7-6-13(11-16(15)21-2)17-18-8-9-19(17)12-14-5-3-4-10-22-14/h6-9,11,14H,3-5,10,12H2,1-2H3/t14-/m1/s1.
What are the key properties of 2-(3,4-dimethoxyphenyl)-1-[[(2R)-oxan-2-yl]methyl]imidazole?
2-(3,4-dimethoxyphenyl)-1-[[(2R)-oxan-2-yl]methyl]imidazole has a molecular weight of 302.37 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-1-[[(2R)-oxan-2-yl]methyl]imidazole is sourced from PubChem (CID 95561123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).