1-[2-(2-methyl-5-nitroanilino)acetyl]imidazolidin-2-one

C12H14N4O4 — CID 26506200

IUPAC1-[2-(2-methyl-5-nitroanilino)acetyl]imidazolidin-2-one
SMILESCc1ccc([N+](=O)[O-])cc1NCC(=O)N1CCNC1=O
InChIInChI=1S/C12H14N4O4/c1-8-2-3-9(16(19)20)6-10(8)14-7-11(17)15-5-4-13-12(15)18/h2-3,6,14H,4-5,7H2,1H3,(H,13,18)
InChIKeyMHVVWBOQYXEVFG-UHFFFAOYSA-N
MW278.27 g/mol
LogP0.87
Rot. Bonds4

About 1-[2-(2-methyl-5-nitroanilino)acetyl]imidazolidin-2-one

1-[2-(2-methyl-5-nitroanilino)acetyl]imidazolidin-2-one (PubChem CID 26506200) has the molecular formula C12H14N4O4 and a molecular weight of 278.27 g/mol. Its IUPAC name is 1-[2-(2-methyl-5-nitroanilino)acetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(2-methyl-5-nitroanilino)acetyl]imidazolidin-2-one
PubChem CID26506200
Molecular FormulaC12H14N4O4
Molecular Weight278.27 g/mol
Exact Mass278.10
IUPAC Name1-[2-(2-methyl-5-nitroanilino)acetyl]imidazolidin-2-one
SMILESCc1ccc([N+](=O)[O-])cc1NCC(=O)N1CCNC1=O
InChIInChI=1S/C12H14N4O4/c1-8-2-3-9(16(19)20)6-10(8)14-7-11(17)15-5-4-13-12(15)18/h2-3,6,14H,4-5,7H2,1H3,(H,13,18)
InChIKeyMHVVWBOQYXEVFG-UHFFFAOYSA-N
XLogP0.87
TPSA104.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]imidazolidin-2-one
CID 7854243
2-(2-methyl-5-nitroanilino)-N-propylacetamide
CID 32894813
N-(2,6-dimethylphenyl)-2-(2-methyl-5-nitroanilino)acetamide
CID 9081630
methyl 3-(2-methyl-5-nitroanilino)propanoate
CID 62588646
N-(3-methylbutan-2-yl)-2-(2-methyl-5-nitroanilino)acetamide
CID 47145443
N-(3,5-difluorophenyl)-2-(2-methyl-5-nitroanilino)acetamide
CID 42026341
actinium;2-(2-methyl-5-nitroanilino)ethylazanide
CID 21364796
1-(2-methyl-4-nitrophenyl)imidazolidin-2-one
CID 115370555
(2-methyl-5-nitroanilino)carbamic acid
CID 174219510
2-tert-butylsulfanyl-N-(2-methyl-5-nitrophenyl)acetamide
CID 39753459
N-(2-methyl-5-nitrophenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 46628946
2-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-5-nitroaniline
CID 114516044

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methyl-5-nitroanilino)acetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-(2-methyl-5-nitroanilino)acetyl]imidazolidin-2-one (CID 26506200) is 1-[2-(2-methyl-5-nitroanilino)acetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-(2-methyl-5-nitroanilino)acetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-(2-methyl-5-nitroanilino)acetyl]imidazolidin-2-one is Cc1ccc([N+](=O)[O-])cc1NCC(=O)N1CCNC1=O.
What is the InChIKey of 1-[2-(2-methyl-5-nitroanilino)acetyl]imidazolidin-2-one?
The InChIKey is MHVVWBOQYXEVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O4/c1-8-2-3-9(16(19)20)6-10(8)14-7-11(17)15-5-4-13-12(15)18/h2-3,6,14H,4-5,7H2,1H3,(H,13,18).
What are the key properties of 1-[2-(2-methyl-5-nitroanilino)acetyl]imidazolidin-2-one?
1-[2-(2-methyl-5-nitroanilino)acetyl]imidazolidin-2-one has a molecular weight of 278.27 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methyl-5-nitroanilino)acetyl]imidazolidin-2-one is sourced from PubChem (CID 26506200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).