1-(4-ethylphenyl)-2-(nitromethylidene)imidazolidine

C12H15N3O2 — CID 151593060

IUPAC1-(4-ethylphenyl)-2-(nitromethylidene)imidazolidine
SMILESCCc1ccc(N2CCNC2=C[N+](=O)[O-])cc1
InChIInChI=1S/C12H15N3O2/c1-2-10-3-5-11(6-4-10)14-8-7-13-12(14)9-15(16)17/h3-6,9,13H,2,7-8H2,1H3
InChIKeyQIWVBVYZIJSARF-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.73
Rot. Bonds3

About 1-(4-ethylphenyl)-2-(nitromethylidene)imidazolidine

1-(4-ethylphenyl)-2-(nitromethylidene)imidazolidine (PubChem CID 151593060) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-(nitromethylidene)imidazolidine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-(nitromethylidene)imidazolidine
PubChem CID151593060
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name1-(4-ethylphenyl)-2-(nitromethylidene)imidazolidine
SMILESCCc1ccc(N2CCNC2=C[N+](=O)[O-])cc1
InChIInChI=1S/C12H15N3O2/c1-2-10-3-5-11(6-4-10)14-8-7-13-12(14)9-15(16)17/h3-6,9,13H,2,7-8H2,1H3
InChIKeyQIWVBVYZIJSARF-UHFFFAOYSA-N
XLogP1.73
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.73
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'}

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Related Compounds

1-(3,4-dimethylphenyl)-2-(nitromethylidene)imidazolidine
CID 150216835
(2E)-1-ethyl-2-(nitromethylidene)imidazolidine
CID 14468972
(2E)-1-[(3,4-dichlorophenyl)methyl]-2-(nitromethylidene)imidazolidine
CID 67844427
2-(nitromethylidene)-1-prop-2-enylimidazolidine
CID 70251274
N,N-diethyl-2-[2-(nitromethylidene)imidazolidin-1-yl]ethanamine
CID 171984814
4-(4-ethylphenyl)piperazin-2-one
CID 117005105
1-[(2,4-dichlorophenyl)methyl]-2-(nitromethylidene)imidazolidine
CID 131883651
(2Z)-2-(nitromethylidene)-1-(2-phenylethyl)-1,3-diazinane
CID 177488719
2-(nitromethylidene)-1-pentyl-1,3-diazinane
CID 131847094
1-(4-ethylphenyl)-2-methylidenepyrrolidine
CID 155197787
4-(4-ethylphenyl)-1-methyl-1,4-diazepan-5-one
CID 171834808
1-ethyl-4-[(E)-2-nitroethenyl]benzene
CID 50853072

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-(nitromethylidene)imidazolidine?
The IUPAC name of 1-(4-ethylphenyl)-2-(nitromethylidene)imidazolidine (CID 151593060) is 1-(4-ethylphenyl)-2-(nitromethylidene)imidazolidine.
What is the SMILES notation for 1-(4-ethylphenyl)-2-(nitromethylidene)imidazolidine?
The canonical SMILES for 1-(4-ethylphenyl)-2-(nitromethylidene)imidazolidine is CCc1ccc(N2CCNC2=C[N+](=O)[O-])cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-(nitromethylidene)imidazolidine?
The InChIKey is QIWVBVYZIJSARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-2-10-3-5-11(6-4-10)14-8-7-13-12(14)9-15(16)17/h3-6,9,13H,2,7-8H2,1H3.
What are the key properties of 1-(4-ethylphenyl)-2-(nitromethylidene)imidazolidine?
1-(4-ethylphenyl)-2-(nitromethylidene)imidazolidine has a molecular weight of 233.27 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-(nitromethylidene)imidazolidine is sourced from PubChem (CID 151593060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).