1-benzyl-3-(3-methoxyphenyl)-2-sulfanylideneimidazolidin-4-one

C17H16N2O2S — CID 4062307

IUPAC1-benzyl-3-(3-methoxyphenyl)-2-sulfanylideneimidazolidin-4-one
SMILESCOc1cccc(N2C(=O)CN(Cc3ccccc3)C2=S)c1
InChIInChI=1S/C17H16N2O2S/c1-21-15-9-5-8-14(10-15)19-16(20)12-18(17(19)22)11-13-6-3-2-4-7-13/h2-10H,11-12H2,1H3
InChIKeyYXACXGMONWVKON-UHFFFAOYSA-N
MW312.39 g/mol
LogP2.83
Rot. Bonds4

About 1-benzyl-3-(3-methoxyphenyl)-2-sulfanylideneimidazolidin-4-one

1-benzyl-3-(3-methoxyphenyl)-2-sulfanylideneimidazolidin-4-one (PubChem CID 4062307) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is 1-benzyl-3-(3-methoxyphenyl)-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name1-benzyl-3-(3-methoxyphenyl)-2-sulfanylideneimidazolidin-4-one
PubChem CID4062307
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Name1-benzyl-3-(3-methoxyphenyl)-2-sulfanylideneimidazolidin-4-one
SMILESCOc1cccc(N2C(=O)CN(Cc3ccccc3)C2=S)c1
InChIInChI=1S/C17H16N2O2S/c1-21-15-9-5-8-14(10-15)19-16(20)12-18(17(19)22)11-13-6-3-2-4-7-13/h2-10H,11-12H2,1H3
InChIKeyYXACXGMONWVKON-UHFFFAOYSA-N
XLogP2.83
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-benzyl-3-(3-methoxyphenyl)-2-sulfanylideneimidazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(3-methoxyphenyl)-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 1-benzyl-3-(3-methoxyphenyl)-2-sulfanylideneimidazolidin-4-one (CID 4062307) is 1-benzyl-3-(3-methoxyphenyl)-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 1-benzyl-3-(3-methoxyphenyl)-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 1-benzyl-3-(3-methoxyphenyl)-2-sulfanylideneimidazolidin-4-one is COc1cccc(N2C(=O)CN(Cc3ccccc3)C2=S)c1.
What is the InChIKey of 1-benzyl-3-(3-methoxyphenyl)-2-sulfanylideneimidazolidin-4-one?
The InChIKey is YXACXGMONWVKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-21-15-9-5-8-14(10-15)19-16(20)12-18(17(19)22)11-13-6-3-2-4-7-13/h2-10H,11-12H2,1H3.
What are the key properties of 1-benzyl-3-(3-methoxyphenyl)-2-sulfanylideneimidazolidin-4-one?
1-benzyl-3-(3-methoxyphenyl)-2-sulfanylideneimidazolidin-4-one has a molecular weight of 312.39 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(3-methoxyphenyl)-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 4062307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).