2-[2-[2-(4-methoxy-2,3-dimethylphenyl)imidazol-1-yl]ethyl]-3-methylpyridine

C20H23N3O — CID 56723116

IUPAC2-[2-[2-(4-methoxy-2,3-dimethylphenyl)imidazol-1-yl]ethyl]-3-methylpyridine
SMILESCOc1ccc(-c2nccn2CCc2ncccc2C)c(C)c1C
InChIInChI=1S/C20H23N3O/c1-14-6-5-10-21-18(14)9-12-23-13-11-22-20(23)17-7-8-19(24-4)16(3)15(17)2/h5-8,10-11,13H,9,12H2,1-4H3
InChIKeyQSPGMIHIYFWZJK-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.12
Rot. Bonds5

About 2-[2-[2-(4-methoxy-2,3-dimethylphenyl)imidazol-1-yl]ethyl]-3-methylpyridine

2-[2-[2-(4-methoxy-2,3-dimethylphenyl)imidazol-1-yl]ethyl]-3-methylpyridine (PubChem CID 56723116) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-[2-[2-(4-methoxy-2,3-dimethylphenyl)imidazol-1-yl]ethyl]-3-methylpyridine.

Molecular Properties

Compound Name2-[2-[2-(4-methoxy-2,3-dimethylphenyl)imidazol-1-yl]ethyl]-3-methylpyridine
PubChem CID56723116
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name2-[2-[2-(4-methoxy-2,3-dimethylphenyl)imidazol-1-yl]ethyl]-3-methylpyridine
SMILESCOc1ccc(-c2nccn2CCc2ncccc2C)c(C)c1C
InChIInChI=1S/C20H23N3O/c1-14-6-5-10-21-18(14)9-12-23-13-11-22-20(23)17-7-8-19(24-4)16(3)15(17)2/h5-8,10-11,13H,9,12H2,1-4H3
InChIKeyQSPGMIHIYFWZJK-UHFFFAOYSA-N
XLogP4.12
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2-[2-(4-methoxy-2,3-dimethylphenyl)imidazol-1-yl]ethyl]-3-methylpyridine 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-[2-(4-methoxy-2,3-dimethylphenyl)imidazol-1-yl]ethyl]-3-methylpyridine?
The IUPAC name of 2-[2-[2-(4-methoxy-2,3-dimethylphenyl)imidazol-1-yl]ethyl]-3-methylpyridine (CID 56723116) is 2-[2-[2-(4-methoxy-2,3-dimethylphenyl)imidazol-1-yl]ethyl]-3-methylpyridine.
What is the SMILES notation for 2-[2-[2-(4-methoxy-2,3-dimethylphenyl)imidazol-1-yl]ethyl]-3-methylpyridine?
The canonical SMILES for 2-[2-[2-(4-methoxy-2,3-dimethylphenyl)imidazol-1-yl]ethyl]-3-methylpyridine is COc1ccc(-c2nccn2CCc2ncccc2C)c(C)c1C.
What is the InChIKey of 2-[2-[2-(4-methoxy-2,3-dimethylphenyl)imidazol-1-yl]ethyl]-3-methylpyridine?
The InChIKey is QSPGMIHIYFWZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-14-6-5-10-21-18(14)9-12-23-13-11-22-20(23)17-7-8-19(24-4)16(3)15(17)2/h5-8,10-11,13H,9,12H2,1-4H3.
What are the key properties of 2-[2-[2-(4-methoxy-2,3-dimethylphenyl)imidazol-1-yl]ethyl]-3-methylpyridine?
2-[2-[2-(4-methoxy-2,3-dimethylphenyl)imidazol-1-yl]ethyl]-3-methylpyridine has a molecular weight of 321.42 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(4-methoxy-2,3-dimethylphenyl)imidazol-1-yl]ethyl]-3-methylpyridine is sourced from PubChem (CID 56723116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).