2-[3-(difluoromethyl)phenyl]-6-(1,2-dihydroimidazol-3-ylmethyl)pyridine

C16H15F2N3 — CID 172730984

IUPAC2-[3-(difluoromethyl)phenyl]-6-(1,2-dihydroimidazol-3-ylmethyl)pyridine
SMILESFC(F)c1cccc(-c2cccc(CN3C=CNC3)n2)c1
InChIInChI=1S/C16H15F2N3/c17-16(18)13-4-1-3-12(9-13)15-6-2-5-14(20-15)10-21-8-7-19-11-21/h1-9,16,19H,10-11H2
InChIKeyHUCRMABEWIQFDW-UHFFFAOYSA-N
MW287.31 g/mol
LogP3.52
Rot. Bonds4

About 2-[3-(difluoromethyl)phenyl]-6-(1,2-dihydroimidazol-3-ylmethyl)pyridine

2-[3-(difluoromethyl)phenyl]-6-(1,2-dihydroimidazol-3-ylmethyl)pyridine (PubChem CID 172730984) has the molecular formula C16H15F2N3 and a molecular weight of 287.31 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)phenyl]-6-(1,2-dihydroimidazol-3-ylmethyl)pyridine.

Molecular Properties

Compound Name2-[3-(difluoromethyl)phenyl]-6-(1,2-dihydroimidazol-3-ylmethyl)pyridine
PubChem CID172730984
Molecular FormulaC16H15F2N3
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Name2-[3-(difluoromethyl)phenyl]-6-(1,2-dihydroimidazol-3-ylmethyl)pyridine
SMILESFC(F)c1cccc(-c2cccc(CN3C=CNC3)n2)c1
InChIInChI=1S/C16H15F2N3/c17-16(18)13-4-1-3-12(9-13)15-6-2-5-14(20-15)10-21-8-7-19-11-21/h1-9,16,19H,10-11H2
InChIKeyHUCRMABEWIQFDW-UHFFFAOYSA-N
XLogP3.52
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)phenyl]-6-(1,2-dihydroimidazol-3-ylmethyl)pyridine?
The IUPAC name of 2-[3-(difluoromethyl)phenyl]-6-(1,2-dihydroimidazol-3-ylmethyl)pyridine (CID 172730984) is 2-[3-(difluoromethyl)phenyl]-6-(1,2-dihydroimidazol-3-ylmethyl)pyridine.
What is the SMILES notation for 2-[3-(difluoromethyl)phenyl]-6-(1,2-dihydroimidazol-3-ylmethyl)pyridine?
The canonical SMILES for 2-[3-(difluoromethyl)phenyl]-6-(1,2-dihydroimidazol-3-ylmethyl)pyridine is FC(F)c1cccc(-c2cccc(CN3C=CNC3)n2)c1.
What is the InChIKey of 2-[3-(difluoromethyl)phenyl]-6-(1,2-dihydroimidazol-3-ylmethyl)pyridine?
The InChIKey is HUCRMABEWIQFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3/c17-16(18)13-4-1-3-12(9-13)15-6-2-5-14(20-15)10-21-8-7-19-11-21/h1-9,16,19H,10-11H2.
What are the key properties of 2-[3-(difluoromethyl)phenyl]-6-(1,2-dihydroimidazol-3-ylmethyl)pyridine?
2-[3-(difluoromethyl)phenyl]-6-(1,2-dihydroimidazol-3-ylmethyl)pyridine has a molecular weight of 287.31 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)phenyl]-6-(1,2-dihydroimidazol-3-ylmethyl)pyridine is sourced from PubChem (CID 172730984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).