2,4-dimethyl-5-nitro-1H-imidazole

C5H7N3O2 — CID 135554430

IUPAC2,4-dimethyl-5-nitro-1H-imidazole
SMILESCc1nc(C)c([N+](=O)[O-])[nH]1
InChIInChI=1S/C5H7N3O2/c1-3-5(8(9)10)7-4(2)6-3/h1-2H3,(H,6,7)
InChIKeyUKAXKCXOBZGQAK-UHFFFAOYSA-N
MW141.13 g/mol
LogP0.93
Rot. Bonds1

About 2,4-dimethyl-5-nitro-1H-imidazole

2,4-dimethyl-5-nitro-1H-imidazole (PubChem CID 135554430) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is 2,4-dimethyl-5-nitro-1H-imidazole.

Molecular Properties

Compound Name2,4-dimethyl-5-nitro-1H-imidazole
PubChem CID135554430
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC Name2,4-dimethyl-5-nitro-1H-imidazole
SMILESCc1nc(C)c([N+](=O)[O-])[nH]1
InChIInChI=1S/C5H7N3O2/c1-3-5(8(9)10)7-4(2)6-3/h1-2H3,(H,6,7)
InChIKeyUKAXKCXOBZGQAK-UHFFFAOYSA-N
XLogP0.93
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2,4-dimethyl-5-nitro-1H-imidazole?
The IUPAC name of 2,4-dimethyl-5-nitro-1H-imidazole (CID 135554430) is 2,4-dimethyl-5-nitro-1H-imidazole.
What is the SMILES notation for 2,4-dimethyl-5-nitro-1H-imidazole?
The canonical SMILES for 2,4-dimethyl-5-nitro-1H-imidazole is Cc1nc(C)c([N+](=O)[O-])[nH]1.
What is the InChIKey of 2,4-dimethyl-5-nitro-1H-imidazole?
The InChIKey is UKAXKCXOBZGQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2/c1-3-5(8(9)10)7-4(2)6-3/h1-2H3,(H,6,7).
What are the key properties of 2,4-dimethyl-5-nitro-1H-imidazole?
2,4-dimethyl-5-nitro-1H-imidazole has a molecular weight of 141.13 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-nitro-1H-imidazole is sourced from PubChem (CID 135554430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).