4-[2-(2,6-difluorophenyl)-4-(3-methylphenyl)-1H-imidazol-5-yl]pyridine

C21H15F2N3 — CID 71625692

IUPAC4-[2-(2,6-difluorophenyl)-4-(3-methylphenyl)-1H-imidazol-5-yl]pyridine
SMILESCc1cccc(-c2nc(-c3c(F)cccc3F)[nH]c2-c2ccncc2)c1
InChIInChI=1S/C21H15F2N3/c1-13-4-2-5-15(12-13)20-19(14-8-10-24-11-9-14)25-21(26-20)18-16(22)6-3-7-17(18)23/h2-12H,1H3,(H,25,26)
InChIKeyQEXCGBIQJWBHDU-UHFFFAOYSA-N
MW347.37 g/mol
LogP5.39
Rot. Bonds3

About 4-[2-(2,6-difluorophenyl)-4-(3-methylphenyl)-1H-imidazol-5-yl]pyridine

4-[2-(2,6-difluorophenyl)-4-(3-methylphenyl)-1H-imidazol-5-yl]pyridine (PubChem CID 71625692) has the molecular formula C21H15F2N3 and a molecular weight of 347.37 g/mol. Its IUPAC name is 4-[2-(2,6-difluorophenyl)-4-(3-methylphenyl)-1H-imidazol-5-yl]pyridine.

Molecular Properties

Compound Name4-[2-(2,6-difluorophenyl)-4-(3-methylphenyl)-1H-imidazol-5-yl]pyridine
PubChem CID71625692
Molecular FormulaC21H15F2N3
Molecular Weight347.37 g/mol
Exact Mass347.12
IUPAC Name4-[2-(2,6-difluorophenyl)-4-(3-methylphenyl)-1H-imidazol-5-yl]pyridine
SMILESCc1cccc(-c2nc(-c3c(F)cccc3F)[nH]c2-c2ccncc2)c1
InChIInChI=1S/C21H15F2N3/c1-13-4-2-5-15(12-13)20-19(14-8-10-24-11-9-14)25-21(26-20)18-16(22)6-3-7-17(18)23/h2-12H,1H3,(H,25,26)
InChIKeyQEXCGBIQJWBHDU-UHFFFAOYSA-N
XLogP5.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.37
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,6-difluorophenyl)-4-(3-methylphenyl)-1H-imidazol-5-yl]pyridine?
The IUPAC name of 4-[2-(2,6-difluorophenyl)-4-(3-methylphenyl)-1H-imidazol-5-yl]pyridine (CID 71625692) is 4-[2-(2,6-difluorophenyl)-4-(3-methylphenyl)-1H-imidazol-5-yl]pyridine.
What is the SMILES notation for 4-[2-(2,6-difluorophenyl)-4-(3-methylphenyl)-1H-imidazol-5-yl]pyridine?
The canonical SMILES for 4-[2-(2,6-difluorophenyl)-4-(3-methylphenyl)-1H-imidazol-5-yl]pyridine is Cc1cccc(-c2nc(-c3c(F)cccc3F)[nH]c2-c2ccncc2)c1.
What is the InChIKey of 4-[2-(2,6-difluorophenyl)-4-(3-methylphenyl)-1H-imidazol-5-yl]pyridine?
The InChIKey is QEXCGBIQJWBHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N3/c1-13-4-2-5-15(12-13)20-19(14-8-10-24-11-9-14)25-21(26-20)18-16(22)6-3-7-17(18)23/h2-12H,1H3,(H,25,26).
What are the key properties of 4-[2-(2,6-difluorophenyl)-4-(3-methylphenyl)-1H-imidazol-5-yl]pyridine?
4-[2-(2,6-difluorophenyl)-4-(3-methylphenyl)-1H-imidazol-5-yl]pyridine has a molecular weight of 347.37 g/mol, XLogP of 5.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,6-difluorophenyl)-4-(3-methylphenyl)-1H-imidazol-5-yl]pyridine is sourced from PubChem (CID 71625692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).