4-[2-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-1H-imidazol-5-yl]pyridine

C27H20FN3O — CID 67791490

IUPAC4-[2-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-1H-imidazol-5-yl]pyridine
SMILESFc1ccc(-c2nc(-c3ccc(OCc4ccccc4)cc3)c(-c3ccncc3)[nH]2)cc1
InChIInChI=1S/C27H20FN3O/c28-23-10-6-22(7-11-23)27-30-25(26(31-27)21-14-16-29-17-15-21)20-8-12-24(13-9-20)32-18-19-4-2-1-3-5-19/h1-17H,18H2,(H,30,31)
InChIKeyOHMHTYHIFZHMQD-UHFFFAOYSA-N
MW421.48 g/mol
LogP6.52
Rot. Bonds6

About 4-[2-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-1H-imidazol-5-yl]pyridine

4-[2-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-1H-imidazol-5-yl]pyridine (PubChem CID 67791490) has the molecular formula C27H20FN3O and a molecular weight of 421.48 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-1H-imidazol-5-yl]pyridine.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-1H-imidazol-5-yl]pyridine
PubChem CID67791490
Molecular FormulaC27H20FN3O
Molecular Weight421.48 g/mol
Exact Mass421.16
IUPAC Name4-[2-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-1H-imidazol-5-yl]pyridine
SMILESFc1ccc(-c2nc(-c3ccc(OCc4ccccc4)cc3)c(-c3ccncc3)[nH]2)cc1
InChIInChI=1S/C27H20FN3O/c28-23-10-6-22(7-11-23)27-30-25(26(31-27)21-14-16-29-17-15-21)20-8-12-24(13-9-20)32-18-19-4-2-1-3-5-19/h1-17H,18H2,(H,30,31)
InChIKeyOHMHTYHIFZHMQD-UHFFFAOYSA-N
XLogP6.52
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.48
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-1H-imidazol-5-yl]pyridine?
The IUPAC name of 4-[2-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-1H-imidazol-5-yl]pyridine (CID 67791490) is 4-[2-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-1H-imidazol-5-yl]pyridine.
What is the SMILES notation for 4-[2-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-1H-imidazol-5-yl]pyridine?
The canonical SMILES for 4-[2-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-1H-imidazol-5-yl]pyridine is Fc1ccc(-c2nc(-c3ccc(OCc4ccccc4)cc3)c(-c3ccncc3)[nH]2)cc1.
What is the InChIKey of 4-[2-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-1H-imidazol-5-yl]pyridine?
The InChIKey is OHMHTYHIFZHMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20FN3O/c28-23-10-6-22(7-11-23)27-30-25(26(31-27)21-14-16-29-17-15-21)20-8-12-24(13-9-20)32-18-19-4-2-1-3-5-19/h1-17H,18H2,(H,30,31).
What are the key properties of 4-[2-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-1H-imidazol-5-yl]pyridine?
4-[2-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-1H-imidazol-5-yl]pyridine has a molecular weight of 421.48 g/mol, XLogP of 6.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-1H-imidazol-5-yl]pyridine is sourced from PubChem (CID 67791490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).