(5R)-3-[(2-benzyl-1,3-thiazol-4-yl)methyl]-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione

C21H18ClN3O2S — CID 52617959

IUPAC(5R)-3-[(2-benzyl-1,3-thiazol-4-yl)methyl]-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
SMILESC[C@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2csc(Cc3ccccc3)n2)C1=O
InChIInChI=1S/C21H18ClN3O2S/c1-21(15-7-9-16(22)10-8-15)19(26)25(20(27)24-21)12-17-13-28-18(23-17)11-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3,(H,24,27)/t21-/m1/s1
InChIKeyVRONIFRBOHWGMB-OAQYLSRUSA-N
MW411.91 g/mol
LogP4.35
Rot. Bonds5

About (5R)-3-[(2-benzyl-1,3-thiazol-4-yl)methyl]-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione

(5R)-3-[(2-benzyl-1,3-thiazol-4-yl)methyl]-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione (PubChem CID 52617959) has the molecular formula C21H18ClN3O2S and a molecular weight of 411.91 g/mol. Its IUPAC name is (5R)-3-[(2-benzyl-1,3-thiazol-4-yl)methyl]-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[(2-benzyl-1,3-thiazol-4-yl)methyl]-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
PubChem CID52617959
Molecular FormulaC21H18ClN3O2S
Molecular Weight411.91 g/mol
Exact Mass411.08
IUPAC Name(5R)-3-[(2-benzyl-1,3-thiazol-4-yl)methyl]-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
SMILESC[C@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2csc(Cc3ccccc3)n2)C1=O
InChIInChI=1S/C21H18ClN3O2S/c1-21(15-7-9-16(22)10-8-15)19(26)25(20(27)24-21)12-17-13-28-18(23-17)11-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3,(H,24,27)/t21-/m1/s1
InChIKeyVRONIFRBOHWGMB-OAQYLSRUSA-N
XLogP4.35
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.91
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(4-chlorophenyl)-3-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 24592742
3-[(2-benzyl-1,3-thiazol-4-yl)methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 55733734
5-(4-chlorophenyl)-3-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 18284857
3-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 16624139
5-(3-chlorophenyl)-5-methyl-3-[[2-(3-methylbutyl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione
CID 56521213
(5S)-3-benzyl-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 51463779
(5S)-5-(2,4-dichlorophenyl)-5-methyl-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione
CID 2122122
(5R)-3-[(4-chlorophenyl)methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 2092267
(5S)-5-(4-chlorophenyl)-5-methyl-3-[(2-methylphenyl)methyl]imidazolidine-2,4-dione
CID 2577203
3-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 16571185
(5S)-5-(4-chlorophenyl)-3-[(2,6-dichlorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 7907582
(5S)-3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 51537328

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[(2-benzyl-1,3-thiazol-4-yl)methyl]-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[(2-benzyl-1,3-thiazol-4-yl)methyl]-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione (CID 52617959) is (5R)-3-[(2-benzyl-1,3-thiazol-4-yl)methyl]-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[(2-benzyl-1,3-thiazol-4-yl)methyl]-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[(2-benzyl-1,3-thiazol-4-yl)methyl]-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione is C[C@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2csc(Cc3ccccc3)n2)C1=O.
What is the InChIKey of (5R)-3-[(2-benzyl-1,3-thiazol-4-yl)methyl]-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is VRONIFRBOHWGMB-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H18ClN3O2S/c1-21(15-7-9-16(22)10-8-15)19(26)25(20(27)24-21)12-17-13-28-18(23-17)11-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3,(H,24,27)/t21-/m1/s1.
What are the key properties of (5R)-3-[(2-benzyl-1,3-thiazol-4-yl)methyl]-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione?
(5R)-3-[(2-benzyl-1,3-thiazol-4-yl)methyl]-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 411.91 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[(2-benzyl-1,3-thiazol-4-yl)methyl]-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 52617959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).