2-bromo-5-nitroso-1H-imidazole

C3H2BrN3O — CID 129157909

IUPAC2-bromo-5-nitroso-1H-imidazole
SMILESO=Nc1cnc(Br)[nH]1
InChIInChI=1S/C3H2BrN3O/c4-3-5-1-2(6-3)7-8/h1H,(H,5,6)
InChIKeyCRMYFGBVQJNVSK-UHFFFAOYSA-N
MW175.97 g/mol
LogP1.57
Rot. Bonds1

About 2-bromo-5-nitroso-1H-imidazole

2-bromo-5-nitroso-1H-imidazole (PubChem CID 129157909) has the molecular formula C3H2BrN3O and a molecular weight of 175.97 g/mol. Its IUPAC name is 2-bromo-5-nitroso-1H-imidazole.

Molecular Properties

Compound Name2-bromo-5-nitroso-1H-imidazole
PubChem CID129157909
Molecular FormulaC3H2BrN3O
Molecular Weight175.97 g/mol
Exact Mass174.94
IUPAC Name2-bromo-5-nitroso-1H-imidazole
SMILESO=Nc1cnc(Br)[nH]1
InChIInChI=1S/C3H2BrN3O/c4-3-5-1-2(6-3)7-8/h1H,(H,5,6)
InChIKeyCRMYFGBVQJNVSK-UHFFFAOYSA-N
XLogP1.57
TPSA58.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.97
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-bromo-5-nitroso-1H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-nitroso-1H-imidazole?
The IUPAC name of 2-bromo-5-nitroso-1H-imidazole (CID 129157909) is 2-bromo-5-nitroso-1H-imidazole.
What is the SMILES notation for 2-bromo-5-nitroso-1H-imidazole?
The canonical SMILES for 2-bromo-5-nitroso-1H-imidazole is O=Nc1cnc(Br)[nH]1.
What is the InChIKey of 2-bromo-5-nitroso-1H-imidazole?
The InChIKey is CRMYFGBVQJNVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2BrN3O/c4-3-5-1-2(6-3)7-8/h1H,(H,5,6).
What are the key properties of 2-bromo-5-nitroso-1H-imidazole?
2-bromo-5-nitroso-1H-imidazole has a molecular weight of 175.97 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-nitroso-1H-imidazole is sourced from PubChem (CID 129157909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).