5,5-dimethyl-3-[[2-(methylamino)-5-nitrophenyl]methyl]imidazolidine-2,4-dione

C13H16N4O4 — CID 62208513

IUPAC5,5-dimethyl-3-[[2-(methylamino)-5-nitrophenyl]methyl]imidazolidine-2,4-dione
SMILESCNc1ccc([N+](=O)[O-])cc1CN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C13H16N4O4/c1-13(2)11(18)16(12(19)15-13)7-8-6-9(17(20)21)4-5-10(8)14-3/h4-6,14H,7H2,1-3H3,(H,15,19)
InChIKeyDSHYIWLXXNFRCD-UHFFFAOYSA-N
MW292.30 g/mol
LogP1.47
Rot. Bonds4

About 5,5-dimethyl-3-[[2-(methylamino)-5-nitrophenyl]methyl]imidazolidine-2,4-dione

5,5-dimethyl-3-[[2-(methylamino)-5-nitrophenyl]methyl]imidazolidine-2,4-dione (PubChem CID 62208513) has the molecular formula C13H16N4O4 and a molecular weight of 292.30 g/mol. Its IUPAC name is 5,5-dimethyl-3-[[2-(methylamino)-5-nitrophenyl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-[[2-(methylamino)-5-nitrophenyl]methyl]imidazolidine-2,4-dione
PubChem CID62208513
Molecular FormulaC13H16N4O4
Molecular Weight292.30 g/mol
Exact Mass292.12
IUPAC Name5,5-dimethyl-3-[[2-(methylamino)-5-nitrophenyl]methyl]imidazolidine-2,4-dione
SMILESCNc1ccc([N+](=O)[O-])cc1CN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C13H16N4O4/c1-13(2)11(18)16(12(19)15-13)7-8-6-9(17(20)21)4-5-10(8)14-3/h4-6,14H,7H2,1-3H3,(H,15,19)
InChIKeyDSHYIWLXXNFRCD-UHFFFAOYSA-N
XLogP1.47
TPSA104.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 51.47
H-Bond Donors ≤ 52
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

3,4-dimethyl-1-[[2-(methylamino)-5-nitrophenyl]methyl]pyrrolidine-2,5-dione
CID 79179379
4,4-dimethyl-2-[[2-(methylamino)-5-nitrophenyl]methyl]-1,1-dioxothiazetidin-3-one
CID 79872255
2-[(4,4-dimethylpiperidin-1-yl)methyl]-N-methyl-4-nitroaniline
CID 62932506
4-methyl-1-[[2-(methylamino)-5-nitrophenyl]methyl]pyridin-2-one
CID 62963611
N-methyl-4-nitro-2-(thiomorpholin-4-ylmethyl)aniline
CID 62177535
1-[[2-(methylamino)-5-nitrophenyl]methyl]azepan-2-one
CID 62208169
1-[[2-(methylamino)-5-nitrophenyl]methyl]-3-propylimidazol-2-one
CID 80580730
2-[[2-(methylamino)-5-nitrophenyl]methylsulfanyl]acetamide
CID 114231396
N-methyl-4-nitro-2-[(4-nitroimidazol-1-yl)methyl]aniline
CID 62208516
N-methyl-2-[(2-methylimidazol-1-yl)methyl]-4-nitroaniline
CID 62208317
methyl 2-[[2-(methylamino)-5-nitrophenyl]methylsulfanyl]acetate
CID 62188956
1-[[2-(ethylamino)-5-nitrophenyl]methyl]pyrrolidine-2,5-dione
CID 62207983

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[[2-(methylamino)-5-nitrophenyl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-[[2-(methylamino)-5-nitrophenyl]methyl]imidazolidine-2,4-dione (CID 62208513) is 5,5-dimethyl-3-[[2-(methylamino)-5-nitrophenyl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-[[2-(methylamino)-5-nitrophenyl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-[[2-(methylamino)-5-nitrophenyl]methyl]imidazolidine-2,4-dione is CNc1ccc([N+](=O)[O-])cc1CN1C(=O)NC(C)(C)C1=O.
What is the InChIKey of 5,5-dimethyl-3-[[2-(methylamino)-5-nitrophenyl]methyl]imidazolidine-2,4-dione?
The InChIKey is DSHYIWLXXNFRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O4/c1-13(2)11(18)16(12(19)15-13)7-8-6-9(17(20)21)4-5-10(8)14-3/h4-6,14H,7H2,1-3H3,(H,15,19).
What are the key properties of 5,5-dimethyl-3-[[2-(methylamino)-5-nitrophenyl]methyl]imidazolidine-2,4-dione?
5,5-dimethyl-3-[[2-(methylamino)-5-nitrophenyl]methyl]imidazolidine-2,4-dione has a molecular weight of 292.30 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[[2-(methylamino)-5-nitrophenyl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 62208513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).