5-(1,2-dihydroimidazol-3-ylmethyl)-2-(3-fluorophenyl)-3-methylpyridine

C16H16FN3 — CID 172802521

IUPAC5-(1,2-dihydroimidazol-3-ylmethyl)-2-(3-fluorophenyl)-3-methylpyridine
SMILESCc1cc(CN2C=CNC2)cnc1-c1cccc(F)c1
InChIInChI=1S/C16H16FN3/c1-12-7-13(10-20-6-5-18-11-20)9-19-16(12)14-3-2-4-15(17)8-14/h2-9,18H,10-11H2,1H3
InChIKeyRBEWHXSVLJUYFE-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.03
Rot. Bonds3

About 5-(1,2-dihydroimidazol-3-ylmethyl)-2-(3-fluorophenyl)-3-methylpyridine

5-(1,2-dihydroimidazol-3-ylmethyl)-2-(3-fluorophenyl)-3-methylpyridine (PubChem CID 172802521) has the molecular formula C16H16FN3 and a molecular weight of 269.32 g/mol. Its IUPAC name is 5-(1,2-dihydroimidazol-3-ylmethyl)-2-(3-fluorophenyl)-3-methylpyridine.

Molecular Properties

Compound Name5-(1,2-dihydroimidazol-3-ylmethyl)-2-(3-fluorophenyl)-3-methylpyridine
PubChem CID172802521
Molecular FormulaC16H16FN3
Molecular Weight269.32 g/mol
Exact Mass269.13
IUPAC Name5-(1,2-dihydroimidazol-3-ylmethyl)-2-(3-fluorophenyl)-3-methylpyridine
SMILESCc1cc(CN2C=CNC2)cnc1-c1cccc(F)c1
InChIInChI=1S/C16H16FN3/c1-12-7-13(10-20-6-5-18-11-20)9-19-16(12)14-3-2-4-15(17)8-14/h2-9,18H,10-11H2,1H3
InChIKeyRBEWHXSVLJUYFE-UHFFFAOYSA-N
XLogP3.03
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(1,2-dihydroimidazol-3-ylmethyl)-2-(3-fluorophenyl)-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 5-(1,2-dihydroimidazol-3-ylmethyl)-2-(3-fluorophenyl)-3-methylpyridine?
The IUPAC name of 5-(1,2-dihydroimidazol-3-ylmethyl)-2-(3-fluorophenyl)-3-methylpyridine (CID 172802521) is 5-(1,2-dihydroimidazol-3-ylmethyl)-2-(3-fluorophenyl)-3-methylpyridine.
What is the SMILES notation for 5-(1,2-dihydroimidazol-3-ylmethyl)-2-(3-fluorophenyl)-3-methylpyridine?
The canonical SMILES for 5-(1,2-dihydroimidazol-3-ylmethyl)-2-(3-fluorophenyl)-3-methylpyridine is Cc1cc(CN2C=CNC2)cnc1-c1cccc(F)c1.
What is the InChIKey of 5-(1,2-dihydroimidazol-3-ylmethyl)-2-(3-fluorophenyl)-3-methylpyridine?
The InChIKey is RBEWHXSVLJUYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3/c1-12-7-13(10-20-6-5-18-11-20)9-19-16(12)14-3-2-4-15(17)8-14/h2-9,18H,10-11H2,1H3.
What are the key properties of 5-(1,2-dihydroimidazol-3-ylmethyl)-2-(3-fluorophenyl)-3-methylpyridine?
5-(1,2-dihydroimidazol-3-ylmethyl)-2-(3-fluorophenyl)-3-methylpyridine has a molecular weight of 269.32 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2-dihydroimidazol-3-ylmethyl)-2-(3-fluorophenyl)-3-methylpyridine is sourced from PubChem (CID 172802521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).