1-(2-methyl-4-nitrophenyl)imidazolidin-2-one

C10H11N3O3 — CID 115370555

IUPAC1-(2-methyl-4-nitrophenyl)imidazolidin-2-one
SMILESCc1cc([N+](=O)[O-])ccc1N1CCNC1=O
InChIInChI=1S/C10H11N3O3/c1-7-6-8(13(15)16)2-3-9(7)12-5-4-11-10(12)14/h2-3,6H,4-5H2,1H3,(H,11,14)
InChIKeyIYUVYYVFOGFSME-UHFFFAOYSA-N
MW221.22 g/mol
LogP1.43
Rot. Bonds2

About 1-(2-methyl-4-nitrophenyl)imidazolidin-2-one

1-(2-methyl-4-nitrophenyl)imidazolidin-2-one (PubChem CID 115370555) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 1-(2-methyl-4-nitrophenyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(2-methyl-4-nitrophenyl)imidazolidin-2-one
PubChem CID115370555
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name1-(2-methyl-4-nitrophenyl)imidazolidin-2-one
SMILESCc1cc([N+](=O)[O-])ccc1N1CCNC1=O
InChIInChI=1S/C10H11N3O3/c1-7-6-8(13(15)16)2-3-9(7)12-5-4-11-10(12)14/h2-3,6H,4-5H2,1H3,(H,11,14)
InChIKeyIYUVYYVFOGFSME-UHFFFAOYSA-N
XLogP1.43
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2-methyl-4-nitrophenyl)imidazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3-dimethyl-1-(2-methyl-4-nitrophenyl)piperazine
CID 82994396
4-(2-methyl-4-nitrophenyl)sulfonylpiperazin-2-one
CID 37496718
1-(2-methyl-4-nitrophenyl)-1,4-azaborinane-4-carbonitrile
CID 170951709
4-(2-amino-4-nitrophenyl)-3-methylpiperazin-2-one
CID 63595630
1-tert-butyl-4-(2-methyl-4-nitrophenyl)piperazine
CID 70571438
(3R)-1-(2-methyl-4-nitrophenyl)pyrrolidin-3-ol
CID 58851852
6,6-dimethyl-3-(2-methyl-4-nitrophenyl)-3-azabicyclo[3.1.0]hexane
CID 133341058
3-methyl-1-(2-methyl-4-nitrophenyl)pyrrole-2,5-dione
CID 54940825
(2,4-dinitrophenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 89251732
1-(2,4-dinitrophenyl)-1,4-diazepan-5-one
CID 71900709
N,N-dimethyl-1-(2-methyl-4-nitrophenyl)pyrrolidin-3-amine
CID 133328070
1-(2-methyl-4-nitrophenyl)-4-(piperazin-1-ylmethyl)piperidin-4-ol
CID 90166149

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-4-nitrophenyl)imidazolidin-2-one?
The IUPAC name of 1-(2-methyl-4-nitrophenyl)imidazolidin-2-one (CID 115370555) is 1-(2-methyl-4-nitrophenyl)imidazolidin-2-one.
What is the SMILES notation for 1-(2-methyl-4-nitrophenyl)imidazolidin-2-one?
The canonical SMILES for 1-(2-methyl-4-nitrophenyl)imidazolidin-2-one is Cc1cc([N+](=O)[O-])ccc1N1CCNC1=O.
What is the InChIKey of 1-(2-methyl-4-nitrophenyl)imidazolidin-2-one?
The InChIKey is IYUVYYVFOGFSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-7-6-8(13(15)16)2-3-9(7)12-5-4-11-10(12)14/h2-3,6H,4-5H2,1H3,(H,11,14).
What are the key properties of 1-(2-methyl-4-nitrophenyl)imidazolidin-2-one?
1-(2-methyl-4-nitrophenyl)imidazolidin-2-one has a molecular weight of 221.22 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-4-nitrophenyl)imidazolidin-2-one is sourced from PubChem (CID 115370555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).