6-(3,4-difluorophenyl)-2-(1,2-dihydroimidazol-3-ylmethyl)-3-methylpyridine

C16H15F2N3 — CID 172797816

IUPAC6-(3,4-difluorophenyl)-2-(1,2-dihydroimidazol-3-ylmethyl)-3-methylpyridine
SMILESCc1ccc(-c2ccc(F)c(F)c2)nc1CN1C=CNC1
InChIInChI=1S/C16H15F2N3/c1-11-2-5-15(12-3-4-13(17)14(18)8-12)20-16(11)9-21-7-6-19-10-21/h2-8,19H,9-10H2,1H3
InChIKeyQLIGLVYGMXTRQM-UHFFFAOYSA-N
MW287.31 g/mol
LogP3.17
Rot. Bonds3

About 6-(3,4-difluorophenyl)-2-(1,2-dihydroimidazol-3-ylmethyl)-3-methylpyridine

6-(3,4-difluorophenyl)-2-(1,2-dihydroimidazol-3-ylmethyl)-3-methylpyridine (PubChem CID 172797816) has the molecular formula C16H15F2N3 and a molecular weight of 287.31 g/mol. Its IUPAC name is 6-(3,4-difluorophenyl)-2-(1,2-dihydroimidazol-3-ylmethyl)-3-methylpyridine.

Molecular Properties

Compound Name6-(3,4-difluorophenyl)-2-(1,2-dihydroimidazol-3-ylmethyl)-3-methylpyridine
PubChem CID172797816
Molecular FormulaC16H15F2N3
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Name6-(3,4-difluorophenyl)-2-(1,2-dihydroimidazol-3-ylmethyl)-3-methylpyridine
SMILESCc1ccc(-c2ccc(F)c(F)c2)nc1CN1C=CNC1
InChIInChI=1S/C16H15F2N3/c1-11-2-5-15(12-3-4-13(17)14(18)8-12)20-16(11)9-21-7-6-19-10-21/h2-8,19H,9-10H2,1H3
InChIKeyQLIGLVYGMXTRQM-UHFFFAOYSA-N
XLogP3.17
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-difluorophenyl)-2-(1,2-dihydroimidazol-3-ylmethyl)-3-methylpyridine?
The IUPAC name of 6-(3,4-difluorophenyl)-2-(1,2-dihydroimidazol-3-ylmethyl)-3-methylpyridine (CID 172797816) is 6-(3,4-difluorophenyl)-2-(1,2-dihydroimidazol-3-ylmethyl)-3-methylpyridine.
What is the SMILES notation for 6-(3,4-difluorophenyl)-2-(1,2-dihydroimidazol-3-ylmethyl)-3-methylpyridine?
The canonical SMILES for 6-(3,4-difluorophenyl)-2-(1,2-dihydroimidazol-3-ylmethyl)-3-methylpyridine is Cc1ccc(-c2ccc(F)c(F)c2)nc1CN1C=CNC1.
What is the InChIKey of 6-(3,4-difluorophenyl)-2-(1,2-dihydroimidazol-3-ylmethyl)-3-methylpyridine?
The InChIKey is QLIGLVYGMXTRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3/c1-11-2-5-15(12-3-4-13(17)14(18)8-12)20-16(11)9-21-7-6-19-10-21/h2-8,19H,9-10H2,1H3.
What are the key properties of 6-(3,4-difluorophenyl)-2-(1,2-dihydroimidazol-3-ylmethyl)-3-methylpyridine?
6-(3,4-difluorophenyl)-2-(1,2-dihydroimidazol-3-ylmethyl)-3-methylpyridine has a molecular weight of 287.31 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-difluorophenyl)-2-(1,2-dihydroimidazol-3-ylmethyl)-3-methylpyridine is sourced from PubChem (CID 172797816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).