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

C22H25N3O2S — CID 95795943

IUPAC(5R)-5-benzyl-3-(3-methylphenyl)-1-(morpholin-4-ylmethyl)-2-sulfanylideneimidazolidin-4-one
SMILESCc1cccc(N2C(=O)[C@@H](Cc3ccccc3)N(CN3CCOCC3)C2=S)c1
InChIInChI=1S/C22H25N3O2S/c1-17-6-5-9-19(14-17)25-21(26)20(15-18-7-3-2-4-8-18)24(22(25)28)16-23-10-12-27-13-11-23/h2-9,14,20H,10-13,15-16H2,1H3/t20-/m1/s1
InChIKeyRKJSZGJJDZRCCN-HXUWFJFHSA-N
MW395.53 g/mol
LogP2.83
Rot. Bonds5

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

(5R)-5-benzyl-3-(3-methylphenyl)-1-(morpholin-4-ylmethyl)-2-sulfanylideneimidazolidin-4-one (PubChem CID 95795943) has the molecular formula C22H25N3O2S and a molecular weight of 395.53 g/mol. Its IUPAC name is (5R)-5-benzyl-3-(3-methylphenyl)-1-(morpholin-4-ylmethyl)-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5R)-5-benzyl-3-(3-methylphenyl)-1-(morpholin-4-ylmethyl)-2-sulfanylideneimidazolidin-4-one
PubChem CID95795943
Molecular FormulaC22H25N3O2S
Molecular Weight395.53 g/mol
Exact Mass395.17
IUPAC Name(5R)-5-benzyl-3-(3-methylphenyl)-1-(morpholin-4-ylmethyl)-2-sulfanylideneimidazolidin-4-one
SMILESCc1cccc(N2C(=O)[C@@H](Cc3ccccc3)N(CN3CCOCC3)C2=S)c1
InChIInChI=1S/C22H25N3O2S/c1-17-6-5-9-19(14-17)25-21(26)20(15-18-7-3-2-4-8-18)24(22(25)28)16-23-10-12-27-13-11-23/h2-9,14,20H,10-13,15-16H2,1H3/t20-/m1/s1
InChIKeyRKJSZGJJDZRCCN-HXUWFJFHSA-N
XLogP2.83
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-benzyl-1-(3-methylphenyl)-2-morpholin-4-yl-4H-imidazol-5-one
CID 46338917
5-benzyl-3-(3-methylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 4130906
1-(3-methylphenyl)-4-(morpholin-4-ylmethyl)tetrazole-5-thione
CID 9179350
4-benzyl-2-(4-benzylpiperazin-1-yl)-1-(3-methylphenyl)-4H-imidazol-5-one
CID 46338907
(5R)-5-benzyl-3-(morpholin-4-ylmethyl)imidazolidine-2,4-dione
CID 31263332
(5S)-1-(3-methylphenyl)-5-(2-morpholin-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione
CID 7368004
N,N-dimethylmethanamine;ethane;formaldehyde;4-(3-methylphenyl)morpholine;propylbenzene
CID 144909630
(3R)-3-(4-benzylpiperazin-1-yl)-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 1115575
2-[(4R)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide
CID 59084714
methyl 4-[[2-[3-(3-morpholin-4-ylpropyl)-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
CID 4637514
5-benzyl-1-methyl-3-phenylimidazolidine-2,4-dione
CID 12790757
(1S,5S)-2,6-bis(morpholin-4-ylmethyl)-1,5-diphenyl-1,5-dihydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole-3,7-dithione
CID 26370627

Frequently Asked Questions

What is the IUPAC name of (5R)-5-benzyl-3-(3-methylphenyl)-1-(morpholin-4-ylmethyl)-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5R)-5-benzyl-3-(3-methylphenyl)-1-(morpholin-4-ylmethyl)-2-sulfanylideneimidazolidin-4-one (CID 95795943) is (5R)-5-benzyl-3-(3-methylphenyl)-1-(morpholin-4-ylmethyl)-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5R)-5-benzyl-3-(3-methylphenyl)-1-(morpholin-4-ylmethyl)-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5R)-5-benzyl-3-(3-methylphenyl)-1-(morpholin-4-ylmethyl)-2-sulfanylideneimidazolidin-4-one is Cc1cccc(N2C(=O)[C@@H](Cc3ccccc3)N(CN3CCOCC3)C2=S)c1.
What is the InChIKey of (5R)-5-benzyl-3-(3-methylphenyl)-1-(morpholin-4-ylmethyl)-2-sulfanylideneimidazolidin-4-one?
The InChIKey is RKJSZGJJDZRCCN-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H25N3O2S/c1-17-6-5-9-19(14-17)25-21(26)20(15-18-7-3-2-4-8-18)24(22(25)28)16-23-10-12-27-13-11-23/h2-9,14,20H,10-13,15-16H2,1H3/t20-/m1/s1.
What are the key properties of (5R)-5-benzyl-3-(3-methylphenyl)-1-(morpholin-4-ylmethyl)-2-sulfanylideneimidazolidin-4-one?
(5R)-5-benzyl-3-(3-methylphenyl)-1-(morpholin-4-ylmethyl)-2-sulfanylideneimidazolidin-4-one has a molecular weight of 395.53 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-benzyl-3-(3-methylphenyl)-1-(morpholin-4-ylmethyl)-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 95795943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).