3-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]sulfanyloxolan-2-one

C19H16FN3O2S — CID 58752315

IUPAC3-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]sulfanyloxolan-2-one
SMILESCn1c(SC2CCOC2=O)nc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C19H16FN3O2S/c1-23-17(13-6-9-21-10-7-13)16(12-2-4-14(20)5-3-12)22-19(23)26-15-8-11-25-18(15)24/h2-7,9-10,15H,8,11H2,1H3
InChIKeyKZGHPFDQXXBBMY-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.70
Rot. Bonds4

About 3-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]sulfanyloxolan-2-one

3-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]sulfanyloxolan-2-one (PubChem CID 58752315) has the molecular formula C19H16FN3O2S and a molecular weight of 369.42 g/mol. Its IUPAC name is 3-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]sulfanyloxolan-2-one.

Molecular Properties

Compound Name3-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]sulfanyloxolan-2-one
PubChem CID58752315
Molecular FormulaC19H16FN3O2S
Molecular Weight369.42 g/mol
Exact Mass369.09
IUPAC Name3-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]sulfanyloxolan-2-one
SMILESCn1c(SC2CCOC2=O)nc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C19H16FN3O2S/c1-23-17(13-6-9-21-10-7-13)16(12-2-4-14(20)5-3-12)22-19(23)26-15-8-11-25-18(15)24/h2-7,9-10,15H,8,11H2,1H3
InChIKeyKZGHPFDQXXBBMY-UHFFFAOYSA-N
XLogP3.70
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]sulfanyloxolan-2-one?
The IUPAC name of 3-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]sulfanyloxolan-2-one (CID 58752315) is 3-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]sulfanyloxolan-2-one.
What is the SMILES notation for 3-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]sulfanyloxolan-2-one?
The canonical SMILES for 3-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]sulfanyloxolan-2-one is Cn1c(SC2CCOC2=O)nc(-c2ccc(F)cc2)c1-c1ccncc1.
What is the InChIKey of 3-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]sulfanyloxolan-2-one?
The InChIKey is KZGHPFDQXXBBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2S/c1-23-17(13-6-9-21-10-7-13)16(12-2-4-14(20)5-3-12)22-19(23)26-15-8-11-25-18(15)24/h2-7,9-10,15H,8,11H2,1H3.
What are the key properties of 3-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]sulfanyloxolan-2-one?
3-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]sulfanyloxolan-2-one has a molecular weight of 369.42 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]sulfanyloxolan-2-one is sourced from PubChem (CID 58752315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).