2-(2-methyl-4,5-dihydroimidazol-1-yl)-3,4-dihydropyridine

C9H13N3 — CID 163829536

IUPAC2-(2-methyl-4,5-dihydroimidazol-1-yl)-3,4-dihydropyridine
SMILESCC1=NCCN1C1=NC=CCC1
InChIInChI=1S/C9H13N3/c1-8-10-6-7-12(8)9-4-2-3-5-11-9/h3,5H,2,4,6-7H2,1H3
InChIKeyOCMCDVDEVGRSIY-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.43
Rot. Bonds

About 2-(2-methyl-4,5-dihydroimidazol-1-yl)-3,4-dihydropyridine

2-(2-methyl-4,5-dihydroimidazol-1-yl)-3,4-dihydropyridine (PubChem CID 163829536) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-(2-methyl-4,5-dihydroimidazol-1-yl)-3,4-dihydropyridine.

Molecular Properties

Compound Name2-(2-methyl-4,5-dihydroimidazol-1-yl)-3,4-dihydropyridine
PubChem CID163829536
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name2-(2-methyl-4,5-dihydroimidazol-1-yl)-3,4-dihydropyridine
SMILESCC1=NCCN1C1=NC=CCC1
InChIInChI=1S/C9H13N3/c1-8-10-6-7-12(8)9-4-2-3-5-11-9/h3,5H,2,4,6-7H2,1H3
InChIKeyOCMCDVDEVGRSIY-UHFFFAOYSA-N
XLogP1.43
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2-methyl-4,5-dihydroimidazol-1-yl)-3,4-dihydropyridine 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-4,5-dihydroimidazol-1-yl)-3,4-dihydropyridine?
The IUPAC name of 2-(2-methyl-4,5-dihydroimidazol-1-yl)-3,4-dihydropyridine (CID 163829536) is 2-(2-methyl-4,5-dihydroimidazol-1-yl)-3,4-dihydropyridine.
What is the SMILES notation for 2-(2-methyl-4,5-dihydroimidazol-1-yl)-3,4-dihydropyridine?
The canonical SMILES for 2-(2-methyl-4,5-dihydroimidazol-1-yl)-3,4-dihydropyridine is CC1=NCCN1C1=NC=CCC1.
What is the InChIKey of 2-(2-methyl-4,5-dihydroimidazol-1-yl)-3,4-dihydropyridine?
The InChIKey is OCMCDVDEVGRSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-8-10-6-7-12(8)9-4-2-3-5-11-9/h3,5H,2,4,6-7H2,1H3.
What are the key properties of 2-(2-methyl-4,5-dihydroimidazol-1-yl)-3,4-dihydropyridine?
2-(2-methyl-4,5-dihydroimidazol-1-yl)-3,4-dihydropyridine has a molecular weight of 163.22 g/mol, XLogP of 1.43, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4,5-dihydroimidazol-1-yl)-3,4-dihydropyridine is sourced from PubChem (CID 163829536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).