1,5-dimethyl-4-nitroimidazole

C5H7N3O2 — CID 24048

IUPAC1,5-dimethyl-4-nitroimidazole
SMILESCc1c([N+](=O)[O-])ncn1C
InChIInChI=1S/C5H7N3O2/c1-4-5(8(9)10)6-3-7(4)2/h3H,1-2H3
InChIKeyULEIQLOXYAULFE-UHFFFAOYSA-N
MW141.13 g/mol
LogP0.64
Rot. Bonds1

About 1,5-dimethyl-4-nitroimidazole

1,5-dimethyl-4-nitroimidazole (PubChem CID 24048) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is 1,5-dimethyl-4-nitroimidazole.

Molecular Properties

Compound Name1,5-dimethyl-4-nitroimidazole
PubChem CID24048
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC Name1,5-dimethyl-4-nitroimidazole
SMILESCc1c([N+](=O)[O-])ncn1C
InChIInChI=1S/C5H7N3O2/c1-4-5(8(9)10)6-3-7(4)2/h3H,1-2H3
InChIKeyULEIQLOXYAULFE-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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Related Compounds

4-Methyl-5-nitroimidazole
CID 86278103
1,5-Dimethyl-2-nitro-1H-imidazole
CID 78888
Imidazole, 1,4-dimethyl-2-nitro-
CID 79181
1-Methyl-4-nitro-1H-imidazole-5-carbonitrile
CID 222240
1H-Imidazole, 2-nitro-1,4,5-trimethyl-
CID 201544
5-methyl-1,4-dinitro-1H-imidazole
CID 13388425
1,2,4-Trimethyl-5-nitroimidazole
CID 146466
2-Bromo-1,5-dimethyl-4-nitro-1H-imidazole
CID 23273512
1,4-Dimethyl-5-nitro-1H-imidazole
CID 148812
1-Methyl-4-nitro-5-(trifluoromethyl)-1H-imidazole
CID 162341919
5-(Difluoromethyl)-1-methyl-4-nitro-1H-imidazole
CID 162341925
1,3-Dimethyl-4-nitro-5-(trifluoromethyl)imidazol-1-ium
CID 177856296

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-4-nitroimidazole?
The IUPAC name of 1,5-dimethyl-4-nitroimidazole (CID 24048) is 1,5-dimethyl-4-nitroimidazole.
What is the SMILES notation for 1,5-dimethyl-4-nitroimidazole?
The canonical SMILES for 1,5-dimethyl-4-nitroimidazole is Cc1c([N+](=O)[O-])ncn1C.
What is the InChIKey of 1,5-dimethyl-4-nitroimidazole?
The InChIKey is ULEIQLOXYAULFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2/c1-4-5(8(9)10)6-3-7(4)2/h3H,1-2H3.
What are the key properties of 1,5-dimethyl-4-nitroimidazole?
1,5-dimethyl-4-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 1,5-dimethyl-4-nitroimidazole is sourced from PubChem (CID 24048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).