(5R)-1-benzyl-5-(4-methylphenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one

C23H20N2OS — CID 35674628

IUPAC(5R)-1-benzyl-5-(4-methylphenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one
SMILESCc1ccc([C@@H]2C(=O)N(c3ccccc3)C(=S)N2Cc2ccccc2)cc1
InChIInChI=1S/C23H20N2OS/c1-17-12-14-19(15-13-17)21-22(26)25(20-10-6-3-7-11-20)23(27)24(21)16-18-8-4-2-5-9-18/h2-15,21H,16H2,1H3/t21-/m1/s1
InChIKeySNZFYVLILXVGDP-OAQYLSRUSA-N
MW372.49 g/mol
LogP4.87
Rot. Bonds4

About (5R)-1-benzyl-5-(4-methylphenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one

(5R)-1-benzyl-5-(4-methylphenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 35674628) has the molecular formula C23H20N2OS and a molecular weight of 372.49 g/mol. Its IUPAC name is (5R)-1-benzyl-5-(4-methylphenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5R)-1-benzyl-5-(4-methylphenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one
PubChem CID35674628
Molecular FormulaC23H20N2OS
Molecular Weight372.49 g/mol
Exact Mass372.13
IUPAC Name(5R)-1-benzyl-5-(4-methylphenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one
SMILESCc1ccc([C@@H]2C(=O)N(c3ccccc3)C(=S)N2Cc2ccccc2)cc1
InChIInChI=1S/C23H20N2OS/c1-17-12-14-19(15-13-17)21-22(26)25(20-10-6-3-7-11-20)23(27)24(21)16-18-8-4-2-5-9-18/h2-15,21H,16H2,1H3/t21-/m1/s1
InChIKeySNZFYVLILXVGDP-OAQYLSRUSA-N
XLogP4.87
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(furan-2-ylmethyl)-5-(4-methylphenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one
CID 56725133
(5S)-1-benzyl-5-methyl-3-(4-methylphenyl)imidazolidine-2,4-dione
CID 156703225
1-benzyl-3-hydroxy-4-(4-methylphenyl)azetidin-2-one
CID 91824522
(5R)-1-[(4-methoxyphenyl)methyl]-5-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one
CID 101259421
3-acetyl-1-benzyl-4-hydroxy-2-(4-methylphenyl)-2H-pyrrol-5-one
CID 22725660
5-benzyl-1-[(4-methylphenyl)methyl]-3-phenyl-1,3-diazinane-2,4,6-trione
CID 144582870
5-benzyl-3,4-bis(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43856230
5-benzyl-2-methyl-4-phenyl-1,2,5-oxadiazinane-3,6-dione
CID 101385697
4-(4-methylphenyl)-1-phenylazetidine-2,3-dione
CID 14084640
3-(4-methylphenyl)-4-[(4-methylphenyl)methyl]-1-propan-2-ylpiperazine-2,5-dione
CID 167594545
(3R)-3-benzyl-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 6935576
(4E,5S)-1-benzyl-5-(4-bromophenyl)-4-[hydroxy-(4-methylphenyl)methylidene]pyrrolidine-2,3-dione
CID 98166689

Frequently Asked Questions

What is the IUPAC name of (5R)-1-benzyl-5-(4-methylphenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5R)-1-benzyl-5-(4-methylphenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one (CID 35674628) is (5R)-1-benzyl-5-(4-methylphenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5R)-1-benzyl-5-(4-methylphenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5R)-1-benzyl-5-(4-methylphenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one is Cc1ccc([C@@H]2C(=O)N(c3ccccc3)C(=S)N2Cc2ccccc2)cc1.
What is the InChIKey of (5R)-1-benzyl-5-(4-methylphenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is SNZFYVLILXVGDP-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H20N2OS/c1-17-12-14-19(15-13-17)21-22(26)25(20-10-6-3-7-11-20)23(27)24(21)16-18-8-4-2-5-9-18/h2-15,21H,16H2,1H3/t21-/m1/s1.
What are the key properties of (5R)-1-benzyl-5-(4-methylphenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one?
(5R)-1-benzyl-5-(4-methylphenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 372.49 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-benzyl-5-(4-methylphenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 35674628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).