1,4-dimethyl-2-(3-nitrophenyl)imidazole

C11H11N3O2 — CID 174565698

IUPAC1,4-dimethyl-2-(3-nitrophenyl)imidazole
SMILESCc1cn(C)c(-c2cccc([N+](=O)[O-])c2)n1
InChIInChI=1S/C11H11N3O2/c1-8-7-13(2)11(12-8)9-4-3-5-10(6-9)14(15)16/h3-7H,1-2H3
InChIKeyJYQSFCQSPJQVFN-UHFFFAOYSA-N
MW217.23 g/mol
LogP2.30
Rot. Bonds2

About 1,4-dimethyl-2-(3-nitrophenyl)imidazole

1,4-dimethyl-2-(3-nitrophenyl)imidazole (PubChem CID 174565698) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 1,4-dimethyl-2-(3-nitrophenyl)imidazole.

Molecular Properties

Compound Name1,4-dimethyl-2-(3-nitrophenyl)imidazole
PubChem CID174565698
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name1,4-dimethyl-2-(3-nitrophenyl)imidazole
SMILESCc1cn(C)c(-c2cccc([N+](=O)[O-])c2)n1
InChIInChI=1S/C11H11N3O2/c1-8-7-13(2)11(12-8)9-4-3-5-10(6-9)14(15)16/h3-7H,1-2H3
InChIKeyJYQSFCQSPJQVFN-UHFFFAOYSA-N
XLogP2.30
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 52.30
H-Bond Donors ≤ 50
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-methyl-2-(3-nitrophenyl)imidazol-4-ol
CID 106952341
2,6-dimethyl-4-(3-nitrophenyl)pyridine
CID 3016152
2,4,6-trimethyl-3-(3-nitrophenyl)pyridine
CID 141175511
4-(4-methylphenyl)-3,5-bis(3-nitrophenyl)-1,2,4-triazole
CID 135062809
1-methyl-3-nitrobenzene
CID 7422
1-(3-nitrophenyl)-3-phenylbenzene
CID 12623202
1-methyl-3-nitrobenzene chloride
CID 20509973
azane;1-methyl-3-nitrobenzene
CID 174504430
3,6-dimethyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridine
CID 115403762
3-(chloromethyl)-4-ethyl-5-(3-nitrophenyl)-1,2,4-triazole
CID 115398128
3-ethyl-5-(3-nitrophenyl)-1,3-oxazol-2-one
CID 154683486
[4-methyl-6-(3-nitrophenyl)pyrimidin-2-yl]hydrazine
CID 82192470

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2-(3-nitrophenyl)imidazole?
The IUPAC name of 1,4-dimethyl-2-(3-nitrophenyl)imidazole (CID 174565698) is 1,4-dimethyl-2-(3-nitrophenyl)imidazole.
What is the SMILES notation for 1,4-dimethyl-2-(3-nitrophenyl)imidazole?
The canonical SMILES for 1,4-dimethyl-2-(3-nitrophenyl)imidazole is Cc1cn(C)c(-c2cccc([N+](=O)[O-])c2)n1.
What is the InChIKey of 1,4-dimethyl-2-(3-nitrophenyl)imidazole?
The InChIKey is JYQSFCQSPJQVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-8-7-13(2)11(12-8)9-4-3-5-10(6-9)14(15)16/h3-7H,1-2H3.
What are the key properties of 1,4-dimethyl-2-(3-nitrophenyl)imidazole?
1,4-dimethyl-2-(3-nitrophenyl)imidazole has a molecular weight of 217.23 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2-(3-nitrophenyl)imidazole is sourced from PubChem (CID 174565698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).