1-(2-nitrophenyl)imidazole-4,5-dicarbonitrile

C11H5N5O2 — CID 112595783

IUPAC1-(2-nitrophenyl)imidazole-4,5-dicarbonitrile
SMILESN#Cc1ncn(-c2ccccc2[N+](=O)[O-])c1C#N
InChIInChI=1S/C11H5N5O2/c12-5-8-11(6-13)15(7-14-8)9-3-1-2-4-10(9)16(17)18/h1-4,7H
InChIKeyZGJODVKLFWLZQA-UHFFFAOYSA-N
MW239.19 g/mol
LogP1.52
Rot. Bonds2

About 1-(2-nitrophenyl)imidazole-4,5-dicarbonitrile

1-(2-nitrophenyl)imidazole-4,5-dicarbonitrile (PubChem CID 112595783) has the molecular formula C11H5N5O2 and a molecular weight of 239.19 g/mol. Its IUPAC name is 1-(2-nitrophenyl)imidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name1-(2-nitrophenyl)imidazole-4,5-dicarbonitrile
PubChem CID112595783
Molecular FormulaC11H5N5O2
Molecular Weight239.19 g/mol
Exact Mass239.04
IUPAC Name1-(2-nitrophenyl)imidazole-4,5-dicarbonitrile
SMILESN#Cc1ncn(-c2ccccc2[N+](=O)[O-])c1C#N
InChIInChI=1S/C11H5N5O2/c12-5-8-11(6-13)15(7-14-8)9-3-1-2-4-10(9)16(17)18/h1-4,7H
InChIKeyZGJODVKLFWLZQA-UHFFFAOYSA-N
XLogP1.52
TPSA108.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.19
LogP ≤ 51.52
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'}

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Related Compounds

1-(5-methyl-2-nitrophenyl)imidazole-4,5-dicarbonitrile
CID 112595750
1-(2-cyanophenyl)imidazole-4,5-dicarbonitrile
CID 112595092
2-(4,5-dicyanoimidazol-1-yl)-4-nitrobenzoic acid
CID 115944688
1-(4-fluoro-5-methyl-2-nitrophenyl)imidazole-4,5-dicarbonitrile
CID 103594391
1-(4-chloro-5-fluoro-2-nitrophenyl)imidazole-4,5-dicarbonitrile
CID 115945020
1-(2,3-difluoro-6-nitrophenyl)imidazole-4,5-dicarbonitrile
CID 115945037
1-cinnolin-4-ylimidazole-4,5-dicarbonitrile
CID 112595843
1-[2-(1-aminopropyl)phenyl]imidazole-4,5-dicarbonitrile
CID 112678375
4-(4,5-dicyanoimidazol-1-yl)-3-fluorobenzoic acid
CID 112595426
4-amino-6-imino-1-(2-nitrophenyl)pyridazine-3,5-dicarbonitrile
CID 616643
1-(6-methoxy-5-nitropyrimidin-4-yl)imidazole-4,5-dicarbonitrile
CID 115945022
ditert-butyl 1-(2-nitrophenyl)imidazole-4,5-dicarboxylate
CID 102068062

Frequently Asked Questions

What is the IUPAC name of 1-(2-nitrophenyl)imidazole-4,5-dicarbonitrile?
The IUPAC name of 1-(2-nitrophenyl)imidazole-4,5-dicarbonitrile (CID 112595783) is 1-(2-nitrophenyl)imidazole-4,5-dicarbonitrile.
What is the SMILES notation for 1-(2-nitrophenyl)imidazole-4,5-dicarbonitrile?
The canonical SMILES for 1-(2-nitrophenyl)imidazole-4,5-dicarbonitrile is N#Cc1ncn(-c2ccccc2[N+](=O)[O-])c1C#N.
What is the InChIKey of 1-(2-nitrophenyl)imidazole-4,5-dicarbonitrile?
The InChIKey is ZGJODVKLFWLZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5N5O2/c12-5-8-11(6-13)15(7-14-8)9-3-1-2-4-10(9)16(17)18/h1-4,7H.
What are the key properties of 1-(2-nitrophenyl)imidazole-4,5-dicarbonitrile?
1-(2-nitrophenyl)imidazole-4,5-dicarbonitrile has a molecular weight of 239.19 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-nitrophenyl)imidazole-4,5-dicarbonitrile is sourced from PubChem (CID 112595783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).