1,2-dimethyl-5-nitroimidazole

C5H7N3O2 — CID 3090

IUPAC1,2-dimethyl-5-nitroimidazole
SMILESCc1ncc([N+](=O)[O-])n1C
InChIInChI=1S/C5H7N3O2/c1-4-6-3-5(7(4)2)8(9)10/h3H,1-2H3
InChIKeyIBXPYPUJPLLOIN-UHFFFAOYSA-N
MW141.13 g/mol
LogP0.64
Rot. Bonds1

About 1,2-dimethyl-5-nitroimidazole

1,2-dimethyl-5-nitroimidazole (PubChem CID 3090) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is 1,2-dimethyl-5-nitroimidazole.

Molecular Properties

Compound Name1,2-dimethyl-5-nitroimidazole
PubChem CID3090
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC Name1,2-dimethyl-5-nitroimidazole
SMILESCc1ncc([N+](=O)[O-])n1C
InChIInChI=1S/C5H7N3O2/c1-4-6-3-5(7(4)2)8(9)10/h3H,1-2H3
InChIKeyIBXPYPUJPLLOIN-UHFFFAOYSA-N
XLogP0.64
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 50.64
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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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-5-nitroimidazole?
The IUPAC name of 1,2-dimethyl-5-nitroimidazole (CID 3090) is 1,2-dimethyl-5-nitroimidazole.
What is the SMILES notation for 1,2-dimethyl-5-nitroimidazole?
The canonical SMILES for 1,2-dimethyl-5-nitroimidazole is Cc1ncc([N+](=O)[O-])n1C.
What is the InChIKey of 1,2-dimethyl-5-nitroimidazole?
The InChIKey is IBXPYPUJPLLOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2/c1-4-6-3-5(7(4)2)8(9)10/h3H,1-2H3.
What are the key properties of 1,2-dimethyl-5-nitroimidazole?
1,2-dimethyl-5-nitroimidazole has a molecular weight of 141.13 g/mol, XLogP of 0.64, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-5-nitroimidazole is sourced from PubChem (CID 3090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).