3-methyl-2-methylidene-4-(3-nitrophenyl)-1H-imidazole

C11H11N3O2 — CID 146556660

IUPAC3-methyl-2-methylidene-4-(3-nitrophenyl)-1H-imidazole
SMILESC=C1NC=C(c2cccc([N+](=O)[O-])c2)N1C
InChIInChI=1S/C11H11N3O2/c1-8-12-7-11(13(8)2)9-4-3-5-10(6-9)14(15)16/h3-7,12H,1H2,2H3
InChIKeyUPDRNMXPKIXEAW-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.90
Rot. Bonds2

About 3-methyl-2-methylidene-4-(3-nitrophenyl)-1H-imidazole

3-methyl-2-methylidene-4-(3-nitrophenyl)-1H-imidazole (PubChem CID 146556660) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 3-methyl-2-methylidene-4-(3-nitrophenyl)-1H-imidazole.

Molecular Properties

Compound Name3-methyl-2-methylidene-4-(3-nitrophenyl)-1H-imidazole
PubChem CID146556660
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name3-methyl-2-methylidene-4-(3-nitrophenyl)-1H-imidazole
SMILESC=C1NC=C(c2cccc([N+](=O)[O-])c2)N1C
InChIInChI=1S/C11H11N3O2/c1-8-12-7-11(13(8)2)9-4-3-5-10(6-9)14(15)16/h3-7,12H,1H2,2H3
InChIKeyUPDRNMXPKIXEAW-UHFFFAOYSA-N
XLogP1.90
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.90
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

3-methyl-2-methylidene-5-(3-nitrophenyl)-1H-benzimidazole
CID 10220993
1-(3-nitrophenyl)-3-phenylbenzene
CID 12623202
1,1'-biphenyl;1,3-dinitrobenzene
CID 174540087
2,6-dimethyl-4-(3-nitrophenyl)pyridine
CID 3016152
1-(4-tert-butylphenyl)-3-nitrobenzene
CID 67097835
1,4-dimethyl-2-(3-nitrophenyl)imidazole
CID 174565698
3-tert-butyl-1-methyl-5-(3-nitrophenyl)pyrazole
CID 154682928
1-methyl-2-(3-nitrophenyl)imidazol-4-ol
CID 106952341
formic acid;1-nitro-3-phenylbenzene
CID 158057338
2-fluoro-1-methyl-4-(3-nitrophenyl)benzene
CID 70699657
1-methyl-3-nitrobenzene
CID 7422
3-ethyl-5-(3-nitrophenyl)-1,3-oxazol-2-one
CID 154683486

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-methylidene-4-(3-nitrophenyl)-1H-imidazole?
The IUPAC name of 3-methyl-2-methylidene-4-(3-nitrophenyl)-1H-imidazole (CID 146556660) is 3-methyl-2-methylidene-4-(3-nitrophenyl)-1H-imidazole.
What is the SMILES notation for 3-methyl-2-methylidene-4-(3-nitrophenyl)-1H-imidazole?
The canonical SMILES for 3-methyl-2-methylidene-4-(3-nitrophenyl)-1H-imidazole is C=C1NC=C(c2cccc([N+](=O)[O-])c2)N1C.
What is the InChIKey of 3-methyl-2-methylidene-4-(3-nitrophenyl)-1H-imidazole?
The InChIKey is UPDRNMXPKIXEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-8-12-7-11(13(8)2)9-4-3-5-10(6-9)14(15)16/h3-7,12H,1H2,2H3.
What are the key properties of 3-methyl-2-methylidene-4-(3-nitrophenyl)-1H-imidazole?
3-methyl-2-methylidene-4-(3-nitrophenyl)-1H-imidazole has a molecular weight of 217.23 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-methylidene-4-(3-nitrophenyl)-1H-imidazole is sourced from PubChem (CID 146556660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).