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

C3HCl2N3O2 — CID 135400176

IUPAC2,4-dichloro-5-nitro-1H-imidazole
SMILESO=[N+]([O-])c1[nH]c(Cl)nc1Cl
InChIInChI=1S/C3HCl2N3O2/c4-1-2(8(9)10)7-3(5)6-1/h(H,6,7)
InChIKeyXJHISXIOFMXKNU-UHFFFAOYSA-N
MW181.97 g/mol
LogP1.62
Rot. Bonds1

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

2,4-dichloro-5-nitro-1H-imidazole (PubChem CID 135400176) has the molecular formula C3HCl2N3O2 and a molecular weight of 181.97 g/mol. Its IUPAC name is 2,4-dichloro-5-nitro-1H-imidazole.

Molecular Properties

Compound Name2,4-dichloro-5-nitro-1H-imidazole
PubChem CID135400176
Molecular FormulaC3HCl2N3O2
Molecular Weight181.97 g/mol
Exact Mass180.94
IUPAC Name2,4-dichloro-5-nitro-1H-imidazole
SMILESO=[N+]([O-])c1[nH]c(Cl)nc1Cl
InChIInChI=1S/C3HCl2N3O2/c4-1-2(8(9)10)7-3(5)6-1/h(H,6,7)
InChIKeyXJHISXIOFMXKNU-UHFFFAOYSA-N
XLogP1.62
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.97
LogP ≤ 51.62
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-dichloro-5-nitro-1H-imidazole?
The IUPAC name of 2,4-dichloro-5-nitro-1H-imidazole (CID 135400176) is 2,4-dichloro-5-nitro-1H-imidazole.
What is the SMILES notation for 2,4-dichloro-5-nitro-1H-imidazole?
The canonical SMILES for 2,4-dichloro-5-nitro-1H-imidazole is O=[N+]([O-])c1[nH]c(Cl)nc1Cl.
What is the InChIKey of 2,4-dichloro-5-nitro-1H-imidazole?
The InChIKey is XJHISXIOFMXKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HCl2N3O2/c4-1-2(8(9)10)7-3(5)6-1/h(H,6,7).
What are the key properties of 2,4-dichloro-5-nitro-1H-imidazole?
2,4-dichloro-5-nitro-1H-imidazole has a molecular weight of 181.97 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-nitro-1H-imidazole is sourced from PubChem (CID 135400176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).