imidazole-1-carboximidoyl bromide

C4H4BrN3 — CID 89319760

IUPACimidazole-1-carboximidoyl bromide
SMILES[H]/N=C(\Br)n1ccnc1
InChIInChI=1S/C4H4BrN3/c5-4(6)8-2-1-7-3-8/h1-3,6H/b6-4+
InChIKeyGCSZUBVEVQNGRN-GQCTYLIASA-N
MW174.00 g/mol
LogP1.06
Rot. Bonds

About imidazole-1-carboximidoyl bromide

imidazole-1-carboximidoyl bromide (PubChem CID 89319760) has the molecular formula C4H4BrN3 and a molecular weight of 174.00 g/mol. Its IUPAC name is imidazole-1-carboximidoyl bromide.

Molecular Properties

Compound Nameimidazole-1-carboximidoyl bromide
PubChem CID89319760
Molecular FormulaC4H4BrN3
Molecular Weight174.00 g/mol
Exact Mass172.96
IUPAC Nameimidazole-1-carboximidoyl bromide
SMILES[H]/N=C(\Br)n1ccnc1
InChIInChI=1S/C4H4BrN3/c5-4(6)8-2-1-7-3-8/h1-3,6H/b6-4+
InChIKeyGCSZUBVEVQNGRN-GQCTYLIASA-N
XLogP1.06
TPSA41.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.00
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze imidazole-1-carboximidoyl bromide with MolForge

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

Launch Full Analysis

Related Compounds

3-methylbutyl imidazole-1-carboximidate
CID 12031764
S-methyl imidazole-1-carbothioate
CID 59105486
1-(1-fluoroethenyl)imidazole
CID 174960352
potassium imidazole-1-carbodithioate
CID 102210808
ethane;N-(ethenyliminomethyl)-N-methylimidazole-1-carboximidamide
CID 143465984
1-imidazol-1-ylpropane-1,2-dithione
CID 87350552
1-[(Z)-2-chloro-1,2-difluoroethenyl]imidazole
CID 119084004
1,6-di(imidazol-1-yl)hexane-1,6-dione
CID 14413796
4-bromo-1-imidazol-1-ylbutan-1-one
CID 71394827
1,12-di(imidazol-1-yl)dodecane-1,12-dione
CID 14413802
2-fluoro-1-imidazol-1-yl-2-methylpropan-1-one
CID 146826103
imidazole-1-carboxamide;propan-2-ol
CID 121360857

Frequently Asked Questions

What is the IUPAC name of imidazole-1-carboximidoyl bromide?
The IUPAC name of imidazole-1-carboximidoyl bromide (CID 89319760) is imidazole-1-carboximidoyl bromide.
What is the SMILES notation for imidazole-1-carboximidoyl bromide?
The canonical SMILES for imidazole-1-carboximidoyl bromide is [H]/N=C(\Br)n1ccnc1.
What is the InChIKey of imidazole-1-carboximidoyl bromide?
The InChIKey is GCSZUBVEVQNGRN-GQCTYLIASA-N. The full InChI is InChI=1S/C4H4BrN3/c5-4(6)8-2-1-7-3-8/h1-3,6H/b6-4+.
What are the key properties of imidazole-1-carboximidoyl bromide?
imidazole-1-carboximidoyl bromide has a molecular weight of 174.00 g/mol, XLogP of 1.06, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for imidazole-1-carboximidoyl bromide is sourced from PubChem (CID 89319760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).