1-methyl-2-(5-nitrofuran-2-yl)imidazole

C8H7N3O3 — CID 14469463

IUPAC1-methyl-2-(5-nitrofuran-2-yl)imidazole
SMILESCn1ccnc1-c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C8H7N3O3/c1-10-5-4-9-8(10)6-2-3-7(14-6)11(12)13/h2-5H,1H3
InChIKeyDDWGBXFSDVTWGJ-UHFFFAOYSA-N
MW193.16 g/mol
LogP1.59
Rot. Bonds2

About 1-methyl-2-(5-nitrofuran-2-yl)imidazole

1-methyl-2-(5-nitrofuran-2-yl)imidazole (PubChem CID 14469463) has the molecular formula C8H7N3O3 and a molecular weight of 193.16 g/mol. Its IUPAC name is 1-methyl-2-(5-nitrofuran-2-yl)imidazole.

Molecular Properties

Compound Name1-methyl-2-(5-nitrofuran-2-yl)imidazole
PubChem CID14469463
Molecular FormulaC8H7N3O3
Molecular Weight193.16 g/mol
Exact Mass193.05
IUPAC Name1-methyl-2-(5-nitrofuran-2-yl)imidazole
SMILESCn1ccnc1-c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C8H7N3O3/c1-10-5-4-9-8(10)6-2-3-7(14-6)11(12)13/h2-5H,1H3
InChIKeyDDWGBXFSDVTWGJ-UHFFFAOYSA-N
XLogP1.59
TPSA74.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(5-nitrofuran-2-yl)imidazole?
The IUPAC name of 1-methyl-2-(5-nitrofuran-2-yl)imidazole (CID 14469463) is 1-methyl-2-(5-nitrofuran-2-yl)imidazole.
What is the SMILES notation for 1-methyl-2-(5-nitrofuran-2-yl)imidazole?
The canonical SMILES for 1-methyl-2-(5-nitrofuran-2-yl)imidazole is Cn1ccnc1-c1ccc([N+](=O)[O-])o1.
What is the InChIKey of 1-methyl-2-(5-nitrofuran-2-yl)imidazole?
The InChIKey is DDWGBXFSDVTWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O3/c1-10-5-4-9-8(10)6-2-3-7(14-6)11(12)13/h2-5H,1H3.
What are the key properties of 1-methyl-2-(5-nitrofuran-2-yl)imidazole?
1-methyl-2-(5-nitrofuran-2-yl)imidazole has a molecular weight of 193.16 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(5-nitrofuran-2-yl)imidazole is sourced from PubChem (CID 14469463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).