5-[[2-hydroxy-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-2-sulfanylideneimidazolidin-4-one

C26H32N2O3S — CID 23559995

IUPAC5-[[2-hydroxy-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-2-sulfanylideneimidazolidin-4-one
SMILESCOc1cc(O)c(CC2NC(=S)NC2=O)cc1-c1cc2c(cc1C)C(C)(C)CCC2(C)C
InChIInChI=1S/C26H32N2O3S/c1-14-9-18-19(26(4,5)8-7-25(18,2)3)12-16(14)17-10-15(21(29)13-22(17)31-6)11-20-23(30)28-24(32)27-20/h9-10,12-13,20,29H,7-8,11H2,1-6H3,(H2,27,28,30,32)
InChIKeyOFOUHGGPHAHHSG-UHFFFAOYSA-N
MW452.62 g/mol
LogP4.64
Rot. Bonds4

About 5-[[2-hydroxy-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-2-sulfanylideneimidazolidin-4-one

5-[[2-hydroxy-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-2-sulfanylideneimidazolidin-4-one (PubChem CID 23559995) has the molecular formula C26H32N2O3S and a molecular weight of 452.62 g/mol. Its IUPAC name is 5-[[2-hydroxy-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name5-[[2-hydroxy-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-2-sulfanylideneimidazolidin-4-one
PubChem CID23559995
Molecular FormulaC26H32N2O3S
Molecular Weight452.62 g/mol
Exact Mass452.21
IUPAC Name5-[[2-hydroxy-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-2-sulfanylideneimidazolidin-4-one
SMILESCOc1cc(O)c(CC2NC(=S)NC2=O)cc1-c1cc2c(cc1C)C(C)(C)CCC2(C)C
InChIInChI=1S/C26H32N2O3S/c1-14-9-18-19(26(4,5)8-7-25(18,2)3)12-16(14)17-10-15(21(29)13-22(17)31-6)11-20-23(30)28-24(32)27-20/h9-10,12-13,20,29H,7-8,11H2,1-6H3,(H2,27,28,30,32)
InChIKeyOFOUHGGPHAHHSG-UHFFFAOYSA-N
XLogP4.64
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.62
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[[2-hydroxy-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-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 5-[[2-hydroxy-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 5-[[2-hydroxy-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-2-sulfanylideneimidazolidin-4-one (CID 23559995) is 5-[[2-hydroxy-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 5-[[2-hydroxy-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 5-[[2-hydroxy-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-2-sulfanylideneimidazolidin-4-one is COc1cc(O)c(CC2NC(=S)NC2=O)cc1-c1cc2c(cc1C)C(C)(C)CCC2(C)C.
What is the InChIKey of 5-[[2-hydroxy-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-2-sulfanylideneimidazolidin-4-one?
The InChIKey is OFOUHGGPHAHHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O3S/c1-14-9-18-19(26(4,5)8-7-25(18,2)3)12-16(14)17-10-15(21(29)13-22(17)31-6)11-20-23(30)28-24(32)27-20/h9-10,12-13,20,29H,7-8,11H2,1-6H3,(H2,27,28,30,32).
What are the key properties of 5-[[2-hydroxy-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-2-sulfanylideneimidazolidin-4-one?
5-[[2-hydroxy-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-2-sulfanylideneimidazolidin-4-one has a molecular weight of 452.62 g/mol, XLogP of 4.64, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-hydroxy-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 23559995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).