3-benzyl-2,4-dibromo-2,5-dimethyl-1H-imidazole

C12H14Br2N2 — CID 70429090

IUPAC3-benzyl-2,4-dibromo-2,5-dimethyl-1H-imidazole
SMILESCC1=C(Br)N(Cc2ccccc2)C(C)(Br)N1
InChIInChI=1S/C12H14Br2N2/c1-9-11(13)16(12(2,14)15-9)8-10-6-4-3-5-7-10/h3-7,15H,8H2,1-2H3
InChIKeyKJXYFJHGOTYKOI-UHFFFAOYSA-N
MW346.07 g/mol
LogP3.74
Rot. Bonds2

About 3-benzyl-2,4-dibromo-2,5-dimethyl-1H-imidazole

3-benzyl-2,4-dibromo-2,5-dimethyl-1H-imidazole (PubChem CID 70429090) has the molecular formula C12H14Br2N2 and a molecular weight of 346.07 g/mol. Its IUPAC name is 3-benzyl-2,4-dibromo-2,5-dimethyl-1H-imidazole.

Molecular Properties

Compound Name3-benzyl-2,4-dibromo-2,5-dimethyl-1H-imidazole
PubChem CID70429090
Molecular FormulaC12H14Br2N2
Molecular Weight346.07 g/mol
Exact Mass343.95
IUPAC Name3-benzyl-2,4-dibromo-2,5-dimethyl-1H-imidazole
SMILESCC1=C(Br)N(Cc2ccccc2)C(C)(Br)N1
InChIInChI=1S/C12H14Br2N2/c1-9-11(13)16(12(2,14)15-9)8-10-6-4-3-5-7-10/h3-7,15H,8H2,1-2H3
InChIKeyKJXYFJHGOTYKOI-UHFFFAOYSA-N
XLogP3.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.07
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 3-benzyl-2,4-dibromo-2,5-dimethyl-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

Related Compounds

3-benzyl-2,2-dimethylimidazolidin-4-one
CID 57433089
(1R,12S)-15,16-dibenzyl-1,3,5,8,10,12-hexamethyl-15,16-diazapentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2(11),3,6,9,13-pentaene
CID 45043559
4-benzyl-3,3,6,7-tetramethyl-1,2-dihydroquinoxaline
CID 82156683
(2S)-3-benzyl-2-ethyl-2-methyl-1H-quinazolin-4-one
CID 29102769
1-benzyl-2-bromo-3-methylpyrrole
CID 139840264
3,5-dibenzyl-2,2-dimethylimidazolidin-4-one
CID 69255258
1-benzyl-3,3-dichloro-4-(chloromethyl)-5,5-dimethylpyrrolidin-2-one
CID 10041714
(4R)-4-(2-aminoethyl)-1-benzyl-4-methylazetidin-2-one;methane
CID 142384259
3-benzyl-4-methyl-2,5-dioxo-N-phenylimidazolidine-4-carboxamide
CID 11023741
1-benzyl-2,2,3-trimethyl-3H-indole
CID 175564059
1-benzyl-5,5-dimethoxyimidazolidine-2,4-dione
CID 163217166
2-benzyl-1,1,3,3,5-pentamethylisoindole
CID 71605999

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2,4-dibromo-2,5-dimethyl-1H-imidazole?
The IUPAC name of 3-benzyl-2,4-dibromo-2,5-dimethyl-1H-imidazole (CID 70429090) is 3-benzyl-2,4-dibromo-2,5-dimethyl-1H-imidazole.
What is the SMILES notation for 3-benzyl-2,4-dibromo-2,5-dimethyl-1H-imidazole?
The canonical SMILES for 3-benzyl-2,4-dibromo-2,5-dimethyl-1H-imidazole is CC1=C(Br)N(Cc2ccccc2)C(C)(Br)N1.
What is the InChIKey of 3-benzyl-2,4-dibromo-2,5-dimethyl-1H-imidazole?
The InChIKey is KJXYFJHGOTYKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Br2N2/c1-9-11(13)16(12(2,14)15-9)8-10-6-4-3-5-7-10/h3-7,15H,8H2,1-2H3.
What are the key properties of 3-benzyl-2,4-dibromo-2,5-dimethyl-1H-imidazole?
3-benzyl-2,4-dibromo-2,5-dimethyl-1H-imidazole has a molecular weight of 346.07 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2,4-dibromo-2,5-dimethyl-1H-imidazole is sourced from PubChem (CID 70429090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).