3-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]sulfanyl]oxolan-2-one

C18H14FN3O2S — CID 10360834

IUPAC3-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]sulfanyl]oxolan-2-one
SMILESO=C1OCCC1Sc1nc(-c2ccc(F)cc2)c(-c2ccncc2)[nH]1
InChIInChI=1S/C18H14FN3O2S/c19-13-3-1-11(2-4-13)15-16(12-5-8-20-9-6-12)22-18(21-15)25-14-7-10-24-17(14)23/h1-6,8-9,14H,7,10H2,(H,21,22)
InChIKeyDHPRUMOEAZTIDT-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.69
Rot. Bonds4

About 3-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]sulfanyl]oxolan-2-one

3-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]sulfanyl]oxolan-2-one (PubChem CID 10360834) has the molecular formula C18H14FN3O2S and a molecular weight of 355.39 g/mol. Its IUPAC name is 3-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]sulfanyl]oxolan-2-one.

Molecular Properties

Compound Name3-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]sulfanyl]oxolan-2-one
PubChem CID10360834
Molecular FormulaC18H14FN3O2S
Molecular Weight355.39 g/mol
Exact Mass355.08
IUPAC Name3-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]sulfanyl]oxolan-2-one
SMILESO=C1OCCC1Sc1nc(-c2ccc(F)cc2)c(-c2ccncc2)[nH]1
InChIInChI=1S/C18H14FN3O2S/c19-13-3-1-11(2-4-13)15-16(12-5-8-20-9-6-12)22-18(21-15)25-14-7-10-24-17(14)23/h1-6,8-9,14H,7,10H2,(H,21,22)
InChIKeyDHPRUMOEAZTIDT-UHFFFAOYSA-N
XLogP3.69
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]sulfanyl]oxolan-2-one?
The IUPAC name of 3-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]sulfanyl]oxolan-2-one (CID 10360834) is 3-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]sulfanyl]oxolan-2-one.
What is the SMILES notation for 3-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]sulfanyl]oxolan-2-one?
The canonical SMILES for 3-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]sulfanyl]oxolan-2-one is O=C1OCCC1Sc1nc(-c2ccc(F)cc2)c(-c2ccncc2)[nH]1.
What is the InChIKey of 3-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]sulfanyl]oxolan-2-one?
The InChIKey is DHPRUMOEAZTIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O2S/c19-13-3-1-11(2-4-13)15-16(12-5-8-20-9-6-12)22-18(21-15)25-14-7-10-24-17(14)23/h1-6,8-9,14H,7,10H2,(H,21,22).
What are the key properties of 3-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]sulfanyl]oxolan-2-one?
3-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]sulfanyl]oxolan-2-one has a molecular weight of 355.39 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]sulfanyl]oxolan-2-one is sourced from PubChem (CID 10360834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).