3-[[5-(4,5-dimethylfuran-2-yl)-4-phenylimidazol-1-yl]methyl]pyridine

C21H19N3O — CID 50980652

IUPAC3-[[5-(4,5-dimethylfuran-2-yl)-4-phenylimidazol-1-yl]methyl]pyridine
SMILESCc1cc(-c2c(-c3ccccc3)ncn2Cc2cccnc2)oc1C
InChIInChI=1S/C21H19N3O/c1-15-11-19(25-16(15)2)21-20(18-8-4-3-5-9-18)23-14-24(21)13-17-7-6-10-22-12-17/h3-12,14H,13H2,1-2H3
InChIKeyNPBVGQCLKLBISJ-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.87
Rot. Bonds4

About 3-[[5-(4,5-dimethylfuran-2-yl)-4-phenylimidazol-1-yl]methyl]pyridine

3-[[5-(4,5-dimethylfuran-2-yl)-4-phenylimidazol-1-yl]methyl]pyridine (PubChem CID 50980652) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-[[5-(4,5-dimethylfuran-2-yl)-4-phenylimidazol-1-yl]methyl]pyridine.

Molecular Properties

Compound Name3-[[5-(4,5-dimethylfuran-2-yl)-4-phenylimidazol-1-yl]methyl]pyridine
PubChem CID50980652
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name3-[[5-(4,5-dimethylfuran-2-yl)-4-phenylimidazol-1-yl]methyl]pyridine
SMILESCc1cc(-c2c(-c3ccccc3)ncn2Cc2cccnc2)oc1C
InChIInChI=1S/C21H19N3O/c1-15-11-19(25-16(15)2)21-20(18-8-4-3-5-9-18)23-14-24(21)13-17-7-6-10-22-12-17/h3-12,14H,13H2,1-2H3
InChIKeyNPBVGQCLKLBISJ-UHFFFAOYSA-N
XLogP4.87
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(4,5-dimethylfuran-2-yl)-4-phenylimidazol-1-yl]methyl]pyridine?
The IUPAC name of 3-[[5-(4,5-dimethylfuran-2-yl)-4-phenylimidazol-1-yl]methyl]pyridine (CID 50980652) is 3-[[5-(4,5-dimethylfuran-2-yl)-4-phenylimidazol-1-yl]methyl]pyridine.
What is the SMILES notation for 3-[[5-(4,5-dimethylfuran-2-yl)-4-phenylimidazol-1-yl]methyl]pyridine?
The canonical SMILES for 3-[[5-(4,5-dimethylfuran-2-yl)-4-phenylimidazol-1-yl]methyl]pyridine is Cc1cc(-c2c(-c3ccccc3)ncn2Cc2cccnc2)oc1C.
What is the InChIKey of 3-[[5-(4,5-dimethylfuran-2-yl)-4-phenylimidazol-1-yl]methyl]pyridine?
The InChIKey is NPBVGQCLKLBISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c1-15-11-19(25-16(15)2)21-20(18-8-4-3-5-9-18)23-14-24(21)13-17-7-6-10-22-12-17/h3-12,14H,13H2,1-2H3.
What are the key properties of 3-[[5-(4,5-dimethylfuran-2-yl)-4-phenylimidazol-1-yl]methyl]pyridine?
3-[[5-(4,5-dimethylfuran-2-yl)-4-phenylimidazol-1-yl]methyl]pyridine has a molecular weight of 329.40 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(4,5-dimethylfuran-2-yl)-4-phenylimidazol-1-yl]methyl]pyridine is sourced from PubChem (CID 50980652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).