1-(3,4-dimethylphenyl)-2-(nitromethylidene)imidazolidine

C12H15N3O2 — CID 150216835

IUPAC1-(3,4-dimethylphenyl)-2-(nitromethylidene)imidazolidine
SMILESCc1ccc(N2CCNC2=C[N+](=O)[O-])cc1C
InChIInChI=1S/C12H15N3O2/c1-9-3-4-11(7-10(9)2)14-6-5-13-12(14)8-15(16)17/h3-4,7-8,13H,5-6H2,1-2H3
InChIKeyFSQSFDGBEOCAHS-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.79
Rot. Bonds2

About 1-(3,4-dimethylphenyl)-2-(nitromethylidene)imidazolidine

1-(3,4-dimethylphenyl)-2-(nitromethylidene)imidazolidine (PubChem CID 150216835) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-2-(nitromethylidene)imidazolidine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-2-(nitromethylidene)imidazolidine
PubChem CID150216835
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name1-(3,4-dimethylphenyl)-2-(nitromethylidene)imidazolidine
SMILESCc1ccc(N2CCNC2=C[N+](=O)[O-])cc1C
InChIInChI=1S/C12H15N3O2/c1-9-3-4-11(7-10(9)2)14-6-5-13-12(14)8-15(16)17/h3-4,7-8,13H,5-6H2,1-2H3
InChIKeyFSQSFDGBEOCAHS-UHFFFAOYSA-N
XLogP1.79
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(3,4-dimethylphenyl)-2-(nitromethylidene)imidazolidine 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

1-(4-ethylphenyl)-2-(nitromethylidene)imidazolidine
CID 151593060
(2E)-1-ethyl-2-(nitromethylidene)imidazolidine
CID 14468972
2-(nitromethylidene)-1-prop-2-enylimidazolidine
CID 70251274
1-(3,4-dimethylphenyl)-1,4-diazocan-5-one
CID 117015442
3,4-dimethyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide
CID 110873996
1-(2-methyl-4-nitrophenyl)imidazolidin-2-one
CID 115370555
1-(4-fluoro-3-nitrophenyl)imidazolidin-2-one
CID 115370462
1-(3,4-dimethylphenyl)piperazine;hydrochloride
CID 56766536
N,N-diethyl-2-[2-(nitromethylidene)imidazolidin-1-yl]ethanamine
CID 171984814
CID 174496529
CID 174496529
(2Z)-2-(nitromethylidene)-1-(2-phenylethyl)-1,3-diazinane
CID 177488719
1-(3,4-dimethylphenyl)-3,3-dimethyl-1,4-diazepane-2,5-dione
CID 64958683

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-2-(nitromethylidene)imidazolidine?
The IUPAC name of 1-(3,4-dimethylphenyl)-2-(nitromethylidene)imidazolidine (CID 150216835) is 1-(3,4-dimethylphenyl)-2-(nitromethylidene)imidazolidine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-2-(nitromethylidene)imidazolidine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-2-(nitromethylidene)imidazolidine is Cc1ccc(N2CCNC2=C[N+](=O)[O-])cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-2-(nitromethylidene)imidazolidine?
The InChIKey is FSQSFDGBEOCAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-9-3-4-11(7-10(9)2)14-6-5-13-12(14)8-15(16)17/h3-4,7-8,13H,5-6H2,1-2H3.
What are the key properties of 1-(3,4-dimethylphenyl)-2-(nitromethylidene)imidazolidine?
1-(3,4-dimethylphenyl)-2-(nitromethylidene)imidazolidine has a molecular weight of 233.27 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-2-(nitromethylidene)imidazolidine is sourced from PubChem (CID 150216835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).