3-(4-fluorophenyl)-5-(1H-indol-3-ylmethyl)-2-sulfanylideneimidazolidin-4-one

C18H14FN3OS — CID 4614488

IUPAC3-(4-fluorophenyl)-5-(1H-indol-3-ylmethyl)-2-sulfanylideneimidazolidin-4-one
SMILESO=C1C(Cc2c[nH]c3ccccc23)NC(=S)N1c1ccc(F)cc1
InChIInChI=1S/C18H14FN3OS/c19-12-5-7-13(8-6-12)22-17(23)16(21-18(22)24)9-11-10-20-15-4-2-1-3-14(11)15/h1-8,10,16,20H,9H2,(H,21,24)
InChIKeyXRNBRGKCIQCQHG-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.14
Rot. Bonds3

About 3-(4-fluorophenyl)-5-(1H-indol-3-ylmethyl)-2-sulfanylideneimidazolidin-4-one

3-(4-fluorophenyl)-5-(1H-indol-3-ylmethyl)-2-sulfanylideneimidazolidin-4-one (PubChem CID 4614488) has the molecular formula C18H14FN3OS and a molecular weight of 339.40 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-(1H-indol-3-ylmethyl)-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-(1H-indol-3-ylmethyl)-2-sulfanylideneimidazolidin-4-one
PubChem CID4614488
Molecular FormulaC18H14FN3OS
Molecular Weight339.40 g/mol
Exact Mass339.08
IUPAC Name3-(4-fluorophenyl)-5-(1H-indol-3-ylmethyl)-2-sulfanylideneimidazolidin-4-one
SMILESO=C1C(Cc2c[nH]c3ccccc23)NC(=S)N1c1ccc(F)cc1
InChIInChI=1S/C18H14FN3OS/c19-12-5-7-13(8-6-12)22-17(23)16(21-18(22)24)9-11-10-20-15-4-2-1-3-14(11)15/h1-8,10,16,20H,9H2,(H,21,24)
InChIKeyXRNBRGKCIQCQHG-UHFFFAOYSA-N
XLogP3.14
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-(1H-indol-3-ylmethyl)-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 3-(4-fluorophenyl)-5-(1H-indol-3-ylmethyl)-2-sulfanylideneimidazolidin-4-one (CID 4614488) is 3-(4-fluorophenyl)-5-(1H-indol-3-ylmethyl)-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 3-(4-fluorophenyl)-5-(1H-indol-3-ylmethyl)-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 3-(4-fluorophenyl)-5-(1H-indol-3-ylmethyl)-2-sulfanylideneimidazolidin-4-one is O=C1C(Cc2c[nH]c3ccccc23)NC(=S)N1c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-5-(1H-indol-3-ylmethyl)-2-sulfanylideneimidazolidin-4-one?
The InChIKey is XRNBRGKCIQCQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3OS/c19-12-5-7-13(8-6-12)22-17(23)16(21-18(22)24)9-11-10-20-15-4-2-1-3-14(11)15/h1-8,10,16,20H,9H2,(H,21,24).
What are the key properties of 3-(4-fluorophenyl)-5-(1H-indol-3-ylmethyl)-2-sulfanylideneimidazolidin-4-one?
3-(4-fluorophenyl)-5-(1H-indol-3-ylmethyl)-2-sulfanylideneimidazolidin-4-one has a molecular weight of 339.40 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-(1H-indol-3-ylmethyl)-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 4614488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).