2-[(2,4-dinitrophenyl)methylidene]-1,3-diethylimidazole

C14H16N4O4 — CID 154388068

IUPAC2-[(2,4-dinitrophenyl)methylidene]-1,3-diethylimidazole
SMILESCCN1C=CN(CC)C1=Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C14H16N4O4/c1-3-15-7-8-16(4-2)14(15)9-11-5-6-12(17(19)20)10-13(11)18(21)22/h5-10H,3-4H2,1-2H3
InChIKeyWXZYOPSSFQCNDN-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.93
Rot. Bonds5

About 2-[(2,4-dinitrophenyl)methylidene]-1,3-diethylimidazole

2-[(2,4-dinitrophenyl)methylidene]-1,3-diethylimidazole (PubChem CID 154388068) has the molecular formula C14H16N4O4 and a molecular weight of 304.31 g/mol. Its IUPAC name is 2-[(2,4-dinitrophenyl)methylidene]-1,3-diethylimidazole.

Molecular Properties

Compound Name2-[(2,4-dinitrophenyl)methylidene]-1,3-diethylimidazole
PubChem CID154388068
Molecular FormulaC14H16N4O4
Molecular Weight304.31 g/mol
Exact Mass304.12
IUPAC Name2-[(2,4-dinitrophenyl)methylidene]-1,3-diethylimidazole
SMILESCCN1C=CN(CC)C1=Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C14H16N4O4/c1-3-15-7-8-16(4-2)14(15)9-11-5-6-12(17(19)20)10-13(11)18(21)22/h5-10H,3-4H2,1-2H3
InChIKeyWXZYOPSSFQCNDN-UHFFFAOYSA-N
XLogP2.93
TPSA92.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[(2,4-dinitrophenyl)methylidene]-1,3-diethylimidazole 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

6-chloro-4-[(2,4-dinitrophenyl)methylidene]-1-ethylquinoline
CID 54221493
1-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2,4-dinitrobenzene
CID 6106908
[(4Z)-4-[(2,4-dinitrophenyl)methylidene]-1-ethylquinolin-6-yl]-phenylmethanone
CID 88803082
1-(2-bromoethenyl)-2,4-dinitrobenzene
CID 73297332
(2E)-2-[(2,4-dinitrophenyl)methylidene]-1H-pyridine
CID 101222114
1-[2-(2,4-dimethoxyphenyl)ethenyl]-2,4-dinitrobenzene
CID 4178347
1-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2,3-dimethoxybenzene
CID 6263432
4-[(Z)-2-(2,4-dinitrophenyl)ethenyl]-N,N-dimethylaniline
CID 92907800
4-chloro-2-[(E)-2-(2,4-dinitrophenyl)ethenyl]phenol
CID 6083825
1-methyl-2,4-dinitrobenzene;1,2-xylene
CID 88735463
1-(2,4-dinitrophenyl)propan-1-one
CID 606980
(E)-3-(2,4-dinitrophenyl)-1-(2-methoxy-5-methylphenyl)prop-2-en-1-one
CID 90228050

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dinitrophenyl)methylidene]-1,3-diethylimidazole?
The IUPAC name of 2-[(2,4-dinitrophenyl)methylidene]-1,3-diethylimidazole (CID 154388068) is 2-[(2,4-dinitrophenyl)methylidene]-1,3-diethylimidazole.
What is the SMILES notation for 2-[(2,4-dinitrophenyl)methylidene]-1,3-diethylimidazole?
The canonical SMILES for 2-[(2,4-dinitrophenyl)methylidene]-1,3-diethylimidazole is CCN1C=CN(CC)C1=Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of 2-[(2,4-dinitrophenyl)methylidene]-1,3-diethylimidazole?
The InChIKey is WXZYOPSSFQCNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O4/c1-3-15-7-8-16(4-2)14(15)9-11-5-6-12(17(19)20)10-13(11)18(21)22/h5-10H,3-4H2,1-2H3.
What are the key properties of 2-[(2,4-dinitrophenyl)methylidene]-1,3-diethylimidazole?
2-[(2,4-dinitrophenyl)methylidene]-1,3-diethylimidazole has a molecular weight of 304.31 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dinitrophenyl)methylidene]-1,3-diethylimidazole is sourced from PubChem (CID 154388068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).