4-[4-(3-fluorophenyl)-2-[4-(2-methylpropyl)phenyl]-1H-imidazol-5-yl]pyridine

C24H22FN3 — CID 134257949

IUPAC4-[4-(3-fluorophenyl)-2-[4-(2-methylpropyl)phenyl]-1H-imidazol-5-yl]pyridine
SMILESCC(C)Cc1ccc(-c2nc(-c3cccc(F)c3)c(-c3ccncc3)[nH]2)cc1
InChIInChI=1S/C24H22FN3/c1-16(2)14-17-6-8-19(9-7-17)24-27-22(18-10-12-26-13-11-18)23(28-24)20-4-3-5-21(25)15-20/h3-13,15-16H,14H2,1-2H3,(H,27,28)
InChIKeyXWMAMJGEXWHOKE-UHFFFAOYSA-N
MW371.46 g/mol
LogP6.14
Rot. Bonds5

About 4-[4-(3-fluorophenyl)-2-[4-(2-methylpropyl)phenyl]-1H-imidazol-5-yl]pyridine

4-[4-(3-fluorophenyl)-2-[4-(2-methylpropyl)phenyl]-1H-imidazol-5-yl]pyridine (PubChem CID 134257949) has the molecular formula C24H22FN3 and a molecular weight of 371.46 g/mol. Its IUPAC name is 4-[4-(3-fluorophenyl)-2-[4-(2-methylpropyl)phenyl]-1H-imidazol-5-yl]pyridine.

Molecular Properties

Compound Name4-[4-(3-fluorophenyl)-2-[4-(2-methylpropyl)phenyl]-1H-imidazol-5-yl]pyridine
PubChem CID134257949
Molecular FormulaC24H22FN3
Molecular Weight371.46 g/mol
Exact Mass371.18
IUPAC Name4-[4-(3-fluorophenyl)-2-[4-(2-methylpropyl)phenyl]-1H-imidazol-5-yl]pyridine
SMILESCC(C)Cc1ccc(-c2nc(-c3cccc(F)c3)c(-c3ccncc3)[nH]2)cc1
InChIInChI=1S/C24H22FN3/c1-16(2)14-17-6-8-19(9-7-17)24-27-22(18-10-12-26-13-11-18)23(28-24)20-4-3-5-21(25)15-20/h3-13,15-16H,14H2,1-2H3,(H,27,28)
InChIKeyXWMAMJGEXWHOKE-UHFFFAOYSA-N
XLogP6.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.46
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-fluorophenyl)-2-[4-(2-methylpropyl)phenyl]-1H-imidazol-5-yl]pyridine?
The IUPAC name of 4-[4-(3-fluorophenyl)-2-[4-(2-methylpropyl)phenyl]-1H-imidazol-5-yl]pyridine (CID 134257949) is 4-[4-(3-fluorophenyl)-2-[4-(2-methylpropyl)phenyl]-1H-imidazol-5-yl]pyridine.
What is the SMILES notation for 4-[4-(3-fluorophenyl)-2-[4-(2-methylpropyl)phenyl]-1H-imidazol-5-yl]pyridine?
The canonical SMILES for 4-[4-(3-fluorophenyl)-2-[4-(2-methylpropyl)phenyl]-1H-imidazol-5-yl]pyridine is CC(C)Cc1ccc(-c2nc(-c3cccc(F)c3)c(-c3ccncc3)[nH]2)cc1.
What is the InChIKey of 4-[4-(3-fluorophenyl)-2-[4-(2-methylpropyl)phenyl]-1H-imidazol-5-yl]pyridine?
The InChIKey is XWMAMJGEXWHOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3/c1-16(2)14-17-6-8-19(9-7-17)24-27-22(18-10-12-26-13-11-18)23(28-24)20-4-3-5-21(25)15-20/h3-13,15-16H,14H2,1-2H3,(H,27,28).
What are the key properties of 4-[4-(3-fluorophenyl)-2-[4-(2-methylpropyl)phenyl]-1H-imidazol-5-yl]pyridine?
4-[4-(3-fluorophenyl)-2-[4-(2-methylpropyl)phenyl]-1H-imidazol-5-yl]pyridine has a molecular weight of 371.46 g/mol, XLogP of 6.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-fluorophenyl)-2-[4-(2-methylpropyl)phenyl]-1H-imidazol-5-yl]pyridine is sourced from PubChem (CID 134257949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).