5-(2,4-dichlorophenyl)-5-methyl-3-[(5-nitrothiophen-3-yl)methyl]imidazolidine-2,4-dione

C15H11Cl2N3O4S — CID 60524466

IUPAC5-(2,4-dichlorophenyl)-5-methyl-3-[(5-nitrothiophen-3-yl)methyl]imidazolidine-2,4-dione
SMILESCC1(c2ccc(Cl)cc2Cl)NC(=O)N(Cc2csc([N+](=O)[O-])c2)C1=O
InChIInChI=1S/C15H11Cl2N3O4S/c1-15(10-3-2-9(16)5-11(10)17)13(21)19(14(22)18-15)6-8-4-12(20(23)24)25-7-8/h2-5,7H,6H2,1H3,(H,18,22)
InChIKeyYCSYDAJOZFFDKK-UHFFFAOYSA-N
MW400.24 g/mol
LogP3.93
Rot. Bonds4

About 5-(2,4-dichlorophenyl)-5-methyl-3-[(5-nitrothiophen-3-yl)methyl]imidazolidine-2,4-dione

5-(2,4-dichlorophenyl)-5-methyl-3-[(5-nitrothiophen-3-yl)methyl]imidazolidine-2,4-dione (PubChem CID 60524466) has the molecular formula C15H11Cl2N3O4S and a molecular weight of 400.24 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-5-methyl-3-[(5-nitrothiophen-3-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-5-methyl-3-[(5-nitrothiophen-3-yl)methyl]imidazolidine-2,4-dione
PubChem CID60524466
Molecular FormulaC15H11Cl2N3O4S
Molecular Weight400.24 g/mol
Exact Mass398.98
IUPAC Name5-(2,4-dichlorophenyl)-5-methyl-3-[(5-nitrothiophen-3-yl)methyl]imidazolidine-2,4-dione
SMILESCC1(c2ccc(Cl)cc2Cl)NC(=O)N(Cc2csc([N+](=O)[O-])c2)C1=O
InChIInChI=1S/C15H11Cl2N3O4S/c1-15(10-3-2-9(16)5-11(10)17)13(21)19(14(22)18-15)6-8-4-12(20(23)24)25-7-8/h2-5,7H,6H2,1H3,(H,18,22)
InChIKeyYCSYDAJOZFFDKK-UHFFFAOYSA-N
XLogP3.93
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.24
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(5S)-5-methyl-3-[(5-nitrothiophen-3-yl)methyl]-5-phenylimidazolidine-2,4-dione
CID 94130619
(5S)-5-methyl-5-(5-methylfuran-2-yl)-3-[(5-nitrothiophen-3-yl)methyl]imidazolidine-2,4-dione
CID 95282818
(5S)-5-(2,4-dichlorophenyl)-5-methyl-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione
CID 2122122
5-(2-chloro-4-fluorophenyl)-3-[(4-chlorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 56518049
3-[(5-nitrothiophen-3-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 47295024
2-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetonitrile
CID 2691204
2-[[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 7565535
5-(2,5-difluorophenyl)-5-methyl-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione
CID 46824039
(5S)-3-[(2,4-dichlorophenyl)methyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 7180278
(5S)-3-[(4-chlorophenyl)methyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 7242913
2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methyl-3-nitrophenyl)acetamide
CID 24659823
5-(2-chlorophenyl)-3-[(3-chlorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 3894846

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-5-methyl-3-[(5-nitrothiophen-3-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-(2,4-dichlorophenyl)-5-methyl-3-[(5-nitrothiophen-3-yl)methyl]imidazolidine-2,4-dione (CID 60524466) is 5-(2,4-dichlorophenyl)-5-methyl-3-[(5-nitrothiophen-3-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-5-methyl-3-[(5-nitrothiophen-3-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-(2,4-dichlorophenyl)-5-methyl-3-[(5-nitrothiophen-3-yl)methyl]imidazolidine-2,4-dione is CC1(c2ccc(Cl)cc2Cl)NC(=O)N(Cc2csc([N+](=O)[O-])c2)C1=O.
What is the InChIKey of 5-(2,4-dichlorophenyl)-5-methyl-3-[(5-nitrothiophen-3-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is YCSYDAJOZFFDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O4S/c1-15(10-3-2-9(16)5-11(10)17)13(21)19(14(22)18-15)6-8-4-12(20(23)24)25-7-8/h2-5,7H,6H2,1H3,(H,18,22).
What are the key properties of 5-(2,4-dichlorophenyl)-5-methyl-3-[(5-nitrothiophen-3-yl)methyl]imidazolidine-2,4-dione?
5-(2,4-dichlorophenyl)-5-methyl-3-[(5-nitrothiophen-3-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 400.24 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-5-methyl-3-[(5-nitrothiophen-3-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 60524466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).