5-(1,2-dihydroimidazol-3-ylmethyl)-2-(4-fluoro-3-methylphenyl)pyridine

C16H16FN3 — CID 172708874

IUPAC5-(1,2-dihydroimidazol-3-ylmethyl)-2-(4-fluoro-3-methylphenyl)pyridine
SMILESCc1cc(-c2ccc(CN3C=CNC3)cn2)ccc1F
InChIInChI=1S/C16H16FN3/c1-12-8-14(3-4-15(12)17)16-5-2-13(9-19-16)10-20-7-6-18-11-20/h2-9,18H,10-11H2,1H3
InChIKeyDYXGQCDRBSGLSF-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.03
Rot. Bonds3

About 5-(1,2-dihydroimidazol-3-ylmethyl)-2-(4-fluoro-3-methylphenyl)pyridine

5-(1,2-dihydroimidazol-3-ylmethyl)-2-(4-fluoro-3-methylphenyl)pyridine (PubChem CID 172708874) 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-(4-fluoro-3-methylphenyl)pyridine.

Molecular Properties

Compound Name5-(1,2-dihydroimidazol-3-ylmethyl)-2-(4-fluoro-3-methylphenyl)pyridine
PubChem CID172708874
Molecular FormulaC16H16FN3
Molecular Weight269.32 g/mol
Exact Mass269.13
IUPAC Name5-(1,2-dihydroimidazol-3-ylmethyl)-2-(4-fluoro-3-methylphenyl)pyridine
SMILESCc1cc(-c2ccc(CN3C=CNC3)cn2)ccc1F
InChIInChI=1S/C16H16FN3/c1-12-8-14(3-4-15(12)17)16-5-2-13(9-19-16)10-20-7-6-18-11-20/h2-9,18H,10-11H2,1H3
InChIKeyDYXGQCDRBSGLSF-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

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Related Compounds

2-[3-(difluoromethyl)phenyl]-5-(1,2-dihydroimidazol-3-ylmethyl)pyridine
CID 172746577
6-(3,4-difluorophenyl)-2-(1,2-dihydroimidazol-3-ylmethyl)-3-methylpyridine
CID 172797816
5-(1,2-dihydroimidazol-3-ylmethyl)-2-(3-fluorophenyl)-3-methylpyridine
CID 172802521
3-[(4-fluorophenyl)methyl]-1,2-dihydroimidazole
CID 175147591
2-(3-chloro-4-fluorophenyl)-5-[(3-methyl-2H-imidazol-1-yl)methyl]pyridine
CID 172754671
5-bromo-2-(4-fluoro-3-methylphenyl)pyridine
CID 83920260
2-(3,4-difluorophenyl)-5-(pyrrol-1-ylmethyl)pyridine
CID 90193053
6-(4-fluoro-3-methylphenyl)pyridine-3-carboxylic acid
CID 52984088
2-(3,4-dimethylphenyl)-5-propylpyridine
CID 140847513
5-butyl-2-(3,4-difluorophenyl)pyridine
CID 70829894
1-[2-(4-fluoro-3-methylphenyl)pyrimidin-5-yl]propan-2-amine
CID 62757182
1-[6-(4-chloro-3-fluorophenyl)-3-pyridinyl]-N-methylmethanamine
CID 175646876

Frequently Asked Questions

What is the IUPAC name of 5-(1,2-dihydroimidazol-3-ylmethyl)-2-(4-fluoro-3-methylphenyl)pyridine?
The IUPAC name of 5-(1,2-dihydroimidazol-3-ylmethyl)-2-(4-fluoro-3-methylphenyl)pyridine (CID 172708874) is 5-(1,2-dihydroimidazol-3-ylmethyl)-2-(4-fluoro-3-methylphenyl)pyridine.
What is the SMILES notation for 5-(1,2-dihydroimidazol-3-ylmethyl)-2-(4-fluoro-3-methylphenyl)pyridine?
The canonical SMILES for 5-(1,2-dihydroimidazol-3-ylmethyl)-2-(4-fluoro-3-methylphenyl)pyridine is Cc1cc(-c2ccc(CN3C=CNC3)cn2)ccc1F.
What is the InChIKey of 5-(1,2-dihydroimidazol-3-ylmethyl)-2-(4-fluoro-3-methylphenyl)pyridine?
The InChIKey is DYXGQCDRBSGLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3/c1-12-8-14(3-4-15(12)17)16-5-2-13(9-19-16)10-20-7-6-18-11-20/h2-9,18H,10-11H2,1H3.
What are the key properties of 5-(1,2-dihydroimidazol-3-ylmethyl)-2-(4-fluoro-3-methylphenyl)pyridine?
5-(1,2-dihydroimidazol-3-ylmethyl)-2-(4-fluoro-3-methylphenyl)pyridine 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-(4-fluoro-3-methylphenyl)pyridine is sourced from PubChem (CID 172708874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).