2-(5-bromo-1-methylimidazol-2-yl)-N-methylprop-2-en-1-imine

C8H10BrN3 — CID 177136680

IUPAC2-(5-bromo-1-methylimidazol-2-yl)-N-methylprop-2-en-1-imine
SMILESC=C(/C=N/C)c1ncc(Br)n1C
InChIInChI=1S/C8H10BrN3/c1-6(4-10-2)8-11-5-7(9)12(8)3/h4-5H,1H2,2-3H3/b10-4+
InChIKeyNKWZDBHBIKYSGF-ONNFQVAWSA-N
MW228.09 g/mol
LogP1.90
Rot. Bonds2

About 2-(5-bromo-1-methylimidazol-2-yl)-N-methylprop-2-en-1-imine

2-(5-bromo-1-methylimidazol-2-yl)-N-methylprop-2-en-1-imine (PubChem CID 177136680) has the molecular formula C8H10BrN3 and a molecular weight of 228.09 g/mol. Its IUPAC name is 2-(5-bromo-1-methylimidazol-2-yl)-N-methylprop-2-en-1-imine.

Molecular Properties

Compound Name2-(5-bromo-1-methylimidazol-2-yl)-N-methylprop-2-en-1-imine
PubChem CID177136680
Molecular FormulaC8H10BrN3
Molecular Weight228.09 g/mol
Exact Mass227.01
IUPAC Name2-(5-bromo-1-methylimidazol-2-yl)-N-methylprop-2-en-1-imine
SMILESC=C(/C=N/C)c1ncc(Br)n1C
InChIInChI=1S/C8H10BrN3/c1-6(4-10-2)8-11-5-7(9)12(8)3/h4-5H,1H2,2-3H3/b10-4+
InChIKeyNKWZDBHBIKYSGF-ONNFQVAWSA-N
XLogP1.90
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.09
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(5-bromo-1-methylimidazol-2-yl)-N-methylprop-2-en-1-imine 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

N-(dimethylallyl)imidazole
CID 57339814
1-Isobutyl-2-methylimidazole~
CID 22055170
1,2-Dimethyl-3-propylimidazolium bromide
CID 88263837
4-Bromo-1,2-dimethyl-1H-imidazole
CID 7204875
1-Methyl-2-vinyl-1H-imidazole
CID 572246
5-bromo-1,2-dimethyl-1H-imidazole
CID 7204879
4-Bromo-1-(1-methylethyl)-1H-imidazole
CID 22147996
4-Bromo-1-ethyl-2-methyl-1H-imidazole
CID 30032970
5-bromo-1-methyl-2-(propan-2-yl)-1H-imidazole
CID 58337022
2-bromo-1-(2-methylpropyl)-1H-imidazole
CID 58719811
5-bromo-2-methyl-1-(propan-2-yl)-1H-imidazole
CID 59145172
2-bromo-1-propyl-1H-imidazole
CID 82125461

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1-methylimidazol-2-yl)-N-methylprop-2-en-1-imine?
The IUPAC name of 2-(5-bromo-1-methylimidazol-2-yl)-N-methylprop-2-en-1-imine (CID 177136680) is 2-(5-bromo-1-methylimidazol-2-yl)-N-methylprop-2-en-1-imine.
What is the SMILES notation for 2-(5-bromo-1-methylimidazol-2-yl)-N-methylprop-2-en-1-imine?
The canonical SMILES for 2-(5-bromo-1-methylimidazol-2-yl)-N-methylprop-2-en-1-imine is C=C(/C=N/C)c1ncc(Br)n1C.
What is the InChIKey of 2-(5-bromo-1-methylimidazol-2-yl)-N-methylprop-2-en-1-imine?
The InChIKey is NKWZDBHBIKYSGF-ONNFQVAWSA-N. The full InChI is InChI=1S/C8H10BrN3/c1-6(4-10-2)8-11-5-7(9)12(8)3/h4-5H,1H2,2-3H3/b10-4+.
What are the key properties of 2-(5-bromo-1-methylimidazol-2-yl)-N-methylprop-2-en-1-imine?
2-(5-bromo-1-methylimidazol-2-yl)-N-methylprop-2-en-1-imine has a molecular weight of 228.09 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1-methylimidazol-2-yl)-N-methylprop-2-en-1-imine is sourced from PubChem (CID 177136680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).