ethene;4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-phenoxypyridine

C23H20FN3OS — CID 142863963

IUPACethene;4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-phenoxypyridine
SMILESC=C.CSc1nc(-c2ccnc(Oc3ccccc3)c2)c(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C21H16FN3OS.C2H4/c1-27-21-24-19(14-7-9-16(22)10-8-14)20(25-21)15-11-12-23-18(13-15)26-17-5-3-2-4-6-17;1-2/h2-13H,1H3,(H,24,25);1-2H2
InChIKeyPNVFTPKDVGUGQB-UHFFFAOYSA-N
MW405.50 g/mol
LogP6.59
Rot. Bonds5

About ethene;4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-phenoxypyridine

ethene;4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-phenoxypyridine (PubChem CID 142863963) has the molecular formula C23H20FN3OS and a molecular weight of 405.50 g/mol. Its IUPAC name is ethene;4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-phenoxypyridine.

Molecular Properties

Compound Nameethene;4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-phenoxypyridine
PubChem CID142863963
Molecular FormulaC23H20FN3OS
Molecular Weight405.50 g/mol
Exact Mass405.13
IUPAC Nameethene;4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-phenoxypyridine
SMILESC=C.CSc1nc(-c2ccnc(Oc3ccccc3)c2)c(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C21H16FN3OS.C2H4/c1-27-21-24-19(14-7-9-16(22)10-8-14)20(25-21)15-11-12-23-18(13-15)26-17-5-3-2-4-6-17;1-2/h2-13H,1H3,(H,24,25);1-2H2
InChIKeyPNVFTPKDVGUGQB-UHFFFAOYSA-N
XLogP6.59
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.50
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethene;4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-phenoxypyridine?
The IUPAC name of ethene;4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-phenoxypyridine (CID 142863963) is ethene;4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-phenoxypyridine.
What is the SMILES notation for ethene;4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-phenoxypyridine?
The canonical SMILES for ethene;4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-phenoxypyridine is C=C.CSc1nc(-c2ccnc(Oc3ccccc3)c2)c(-c2ccc(F)cc2)[nH]1.
What is the InChIKey of ethene;4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-phenoxypyridine?
The InChIKey is PNVFTPKDVGUGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3OS.C2H4/c1-27-21-24-19(14-7-9-16(22)10-8-14)20(25-21)15-11-12-23-18(13-15)26-17-5-3-2-4-6-17;1-2/h2-13H,1H3,(H,24,25);1-2H2.
What are the key properties of ethene;4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-phenoxypyridine?
ethene;4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-phenoxypyridine has a molecular weight of 405.50 g/mol, XLogP of 6.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-phenoxypyridine is sourced from PubChem (CID 142863963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).