2-[2-bromo-2-(3,5-dichlorophenyl)ethyl]-1H-imidazole

C11H9BrCl2N2 — CID 61096584

IUPAC2-[2-bromo-2-(3,5-dichlorophenyl)ethyl]-1H-imidazole
SMILESClc1cc(Cl)cc(C(Br)Cc2ncc[nH]2)c1
InChIInChI=1S/C11H9BrCl2N2/c12-10(6-11-15-1-2-16-11)7-3-8(13)5-9(14)4-7/h1-5,10H,6H2,(H,15,16)
InChIKeyBFIQLHDIVRBZEW-UHFFFAOYSA-N
MW320.02 g/mol
LogP4.40
Rot. Bonds3

About 2-[2-bromo-2-(3,5-dichlorophenyl)ethyl]-1H-imidazole

2-[2-bromo-2-(3,5-dichlorophenyl)ethyl]-1H-imidazole (PubChem CID 61096584) has the molecular formula C11H9BrCl2N2 and a molecular weight of 320.02 g/mol. Its IUPAC name is 2-[2-bromo-2-(3,5-dichlorophenyl)ethyl]-1H-imidazole.

Molecular Properties

Compound Name2-[2-bromo-2-(3,5-dichlorophenyl)ethyl]-1H-imidazole
PubChem CID61096584
Molecular FormulaC11H9BrCl2N2
Molecular Weight320.02 g/mol
Exact Mass317.93
IUPAC Name2-[2-bromo-2-(3,5-dichlorophenyl)ethyl]-1H-imidazole
SMILESClc1cc(Cl)cc(C(Br)Cc2ncc[nH]2)c1
InChIInChI=1S/C11H9BrCl2N2/c12-10(6-11-15-1-2-16-11)7-3-8(13)5-9(14)4-7/h1-5,10H,6H2,(H,15,16)
InChIKeyBFIQLHDIVRBZEW-UHFFFAOYSA-N
XLogP4.40
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.02
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[2-bromo-2-(3,5-dichlorophenyl)ethyl]-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

2-[2-bromo-2-(2-bromo-4-chlorophenyl)ethyl]-1H-imidazole
CID 107991767
2-[2-bromo-2-(5-chloro-2-fluorophenyl)ethyl]-1H-imidazole
CID 61098179
2-[2-bromo-2-(3,4-dimethylphenyl)ethyl]-1H-imidazole
CID 61096174
2-[2-bromo-2-(4-methylphenyl)ethyl]-1H-imidazole
CID 61096176
2-[2-chloro-2-(3-chlorophenyl)ethyl]-1H-imidazole
CID 61086064
2-[2-bromo-2-(4-bromo-2-chlorophenyl)ethyl]-1H-imidazole
CID 61095782
2-(2-bromopropyl)-1H-imidazole
CID 61096377
2-[2-bromo-2-(3-fluoro-4-methylphenyl)ethyl]-1H-imidazole
CID 61096376
2-[2-bromo-2-(5-chlorothiophen-2-yl)ethyl]-1H-imidazole
CID 62277273
2-[2-bromo-2-(3-bromo-4-methoxyphenyl)ethyl]-1H-imidazole
CID 61095982
2-[2-bromo-2-(3-chlorothiophen-2-yl)ethyl]-1H-imidazole
CID 80642020
3-(3,4-dichlorophenyl)-4-(1H-imidazol-2-yl)butan-1-ol
CID 70281627

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-2-(3,5-dichlorophenyl)ethyl]-1H-imidazole?
The IUPAC name of 2-[2-bromo-2-(3,5-dichlorophenyl)ethyl]-1H-imidazole (CID 61096584) is 2-[2-bromo-2-(3,5-dichlorophenyl)ethyl]-1H-imidazole.
What is the SMILES notation for 2-[2-bromo-2-(3,5-dichlorophenyl)ethyl]-1H-imidazole?
The canonical SMILES for 2-[2-bromo-2-(3,5-dichlorophenyl)ethyl]-1H-imidazole is Clc1cc(Cl)cc(C(Br)Cc2ncc[nH]2)c1.
What is the InChIKey of 2-[2-bromo-2-(3,5-dichlorophenyl)ethyl]-1H-imidazole?
The InChIKey is BFIQLHDIVRBZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrCl2N2/c12-10(6-11-15-1-2-16-11)7-3-8(13)5-9(14)4-7/h1-5,10H,6H2,(H,15,16).
What are the key properties of 2-[2-bromo-2-(3,5-dichlorophenyl)ethyl]-1H-imidazole?
2-[2-bromo-2-(3,5-dichlorophenyl)ethyl]-1H-imidazole has a molecular weight of 320.02 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-2-(3,5-dichlorophenyl)ethyl]-1H-imidazole is sourced from PubChem (CID 61096584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).