3-[(Z)-(4-fluorophenyl)methylideneamino]-1-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one

C17H14FN3OS — CID 5498787

IUPAC3-[(Z)-(4-fluorophenyl)methylideneamino]-1-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one
SMILESCc1ccc(N2CC(=O)N(/N=C\c3ccc(F)cc3)C2=S)cc1
InChIInChI=1S/C17H14FN3OS/c1-12-2-8-15(9-3-12)20-11-16(22)21(17(20)23)19-10-13-4-6-14(18)7-5-13/h2-10H,11H2,1H3/b19-10-
InChIKeyNKAYFOAEIBBPNR-GRSHGNNSSA-N
MW327.38 g/mol
LogP3.10
Rot. Bonds3

About 3-[(Z)-(4-fluorophenyl)methylideneamino]-1-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one

3-[(Z)-(4-fluorophenyl)methylideneamino]-1-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one (PubChem CID 5498787) has the molecular formula C17H14FN3OS and a molecular weight of 327.38 g/mol. Its IUPAC name is 3-[(Z)-(4-fluorophenyl)methylideneamino]-1-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name3-[(Z)-(4-fluorophenyl)methylideneamino]-1-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one
PubChem CID5498787
Molecular FormulaC17H14FN3OS
Molecular Weight327.38 g/mol
Exact Mass327.08
IUPAC Name3-[(Z)-(4-fluorophenyl)methylideneamino]-1-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one
SMILESCc1ccc(N2CC(=O)N(/N=C\c3ccc(F)cc3)C2=S)cc1
InChIInChI=1S/C17H14FN3OS/c1-12-2-8-15(9-3-12)20-11-16(22)21(17(20)23)19-10-13-4-6-14(18)7-5-13/h2-10H,11H2,1H3/b19-10-
InChIKeyNKAYFOAEIBBPNR-GRSHGNNSSA-N
XLogP3.10
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-(4-fluorophenyl)methylideneamino]-1-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 3-[(Z)-(4-fluorophenyl)methylideneamino]-1-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one (CID 5498787) is 3-[(Z)-(4-fluorophenyl)methylideneamino]-1-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 3-[(Z)-(4-fluorophenyl)methylideneamino]-1-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 3-[(Z)-(4-fluorophenyl)methylideneamino]-1-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one is Cc1ccc(N2CC(=O)N(/N=C\c3ccc(F)cc3)C2=S)cc1.
What is the InChIKey of 3-[(Z)-(4-fluorophenyl)methylideneamino]-1-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one?
The InChIKey is NKAYFOAEIBBPNR-GRSHGNNSSA-N. The full InChI is InChI=1S/C17H14FN3OS/c1-12-2-8-15(9-3-12)20-11-16(22)21(17(20)23)19-10-13-4-6-14(18)7-5-13/h2-10H,11H2,1H3/b19-10-.
What are the key properties of 3-[(Z)-(4-fluorophenyl)methylideneamino]-1-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one?
3-[(Z)-(4-fluorophenyl)methylideneamino]-1-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one has a molecular weight of 327.38 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-(4-fluorophenyl)methylideneamino]-1-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 5498787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).