1-(furan-2-ylmethyl)-5-(4-methylphenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one

C21H18N2O2S — CID 56725133

IUPAC1-(furan-2-ylmethyl)-5-(4-methylphenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one
SMILESCc1ccc(C2C(=O)N(c3ccccc3)C(=S)N2Cc2ccco2)cc1
InChIInChI=1S/C21H18N2O2S/c1-15-9-11-16(12-10-15)19-20(24)23(17-6-3-2-4-7-17)21(26)22(19)14-18-8-5-13-25-18/h2-13,19H,14H2,1H3
InChIKeyFUSNHGQDISJAHI-UHFFFAOYSA-N
MW362.45 g/mol
LogP4.46
Rot. Bonds4

About 1-(furan-2-ylmethyl)-5-(4-methylphenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one

1-(furan-2-ylmethyl)-5-(4-methylphenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 56725133) has the molecular formula C21H18N2O2S and a molecular weight of 362.45 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-5-(4-methylphenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-5-(4-methylphenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one
PubChem CID56725133
Molecular FormulaC21H18N2O2S
Molecular Weight362.45 g/mol
Exact Mass362.11
IUPAC Name1-(furan-2-ylmethyl)-5-(4-methylphenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one
SMILESCc1ccc(C2C(=O)N(c3ccccc3)C(=S)N2Cc2ccco2)cc1
InChIInChI=1S/C21H18N2O2S/c1-15-9-11-16(12-10-15)19-20(24)23(17-6-3-2-4-7-17)21(26)22(19)14-18-8-5-13-25-18/h2-13,19H,14H2,1H3
InChIKeyFUSNHGQDISJAHI-UHFFFAOYSA-N
XLogP4.46
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-(furan-2-ylmethyl)-5-(4-methylphenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 1-(furan-2-ylmethyl)-5-(4-methylphenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one (CID 56725133) is 1-(furan-2-ylmethyl)-5-(4-methylphenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 1-(furan-2-ylmethyl)-5-(4-methylphenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 1-(furan-2-ylmethyl)-5-(4-methylphenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one is Cc1ccc(C2C(=O)N(c3ccccc3)C(=S)N2Cc2ccco2)cc1.
What is the InChIKey of 1-(furan-2-ylmethyl)-5-(4-methylphenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is FUSNHGQDISJAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2S/c1-15-9-11-16(12-10-15)19-20(24)23(17-6-3-2-4-7-17)21(26)22(19)14-18-8-5-13-25-18/h2-13,19H,14H2,1H3.
What are the key properties of 1-(furan-2-ylmethyl)-5-(4-methylphenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one?
1-(furan-2-ylmethyl)-5-(4-methylphenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 362.45 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-5-(4-methylphenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 56725133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).