2-[2-bromo-2-(2-bromo-4-chlorophenyl)ethyl]-1H-imidazole

C11H9Br2ClN2 — CID 107991767

IUPAC2-[2-bromo-2-(2-bromo-4-chlorophenyl)ethyl]-1H-imidazole
SMILESClc1ccc(C(Br)Cc2ncc[nH]2)c(Br)c1
InChIInChI=1S/C11H9Br2ClN2/c12-9-5-7(14)1-2-8(9)10(13)6-11-15-3-4-16-11/h1-5,10H,6H2,(H,15,16)
InChIKeyPOFUWAFYJOTEJW-UHFFFAOYSA-N
MW364.47 g/mol
LogP4.50
Rot. Bonds3

About 2-[2-bromo-2-(2-bromo-4-chlorophenyl)ethyl]-1H-imidazole

2-[2-bromo-2-(2-bromo-4-chlorophenyl)ethyl]-1H-imidazole (PubChem CID 107991767) has the molecular formula C11H9Br2ClN2 and a molecular weight of 364.47 g/mol. Its IUPAC name is 2-[2-bromo-2-(2-bromo-4-chlorophenyl)ethyl]-1H-imidazole.

Molecular Properties

Compound Name2-[2-bromo-2-(2-bromo-4-chlorophenyl)ethyl]-1H-imidazole
PubChem CID107991767
Molecular FormulaC11H9Br2ClN2
Molecular Weight364.47 g/mol
Exact Mass361.88
IUPAC Name2-[2-bromo-2-(2-bromo-4-chlorophenyl)ethyl]-1H-imidazole
SMILESClc1ccc(C(Br)Cc2ncc[nH]2)c(Br)c1
InChIInChI=1S/C11H9Br2ClN2/c12-9-5-7(14)1-2-8(9)10(13)6-11-15-3-4-16-11/h1-5,10H,6H2,(H,15,16)
InChIKeyPOFUWAFYJOTEJW-UHFFFAOYSA-N
XLogP4.50
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[2-bromo-2-(5-chloro-2-fluorophenyl)ethyl]-1H-imidazole
CID 61098179
2-[2-bromo-2-(4-bromo-2-chlorophenyl)ethyl]-1H-imidazole
CID 61095782
2-[2-bromo-2-(3,5-dichlorophenyl)ethyl]-1H-imidazole
CID 61096584
2-[2-(4-bromo-2-fluorophenyl)-2-chloroethyl]-1H-imidazole
CID 61084433
1-(2-bromo-4-chlorophenyl)-2-(1H-imidazol-2-yl)ethanone
CID 107987148
2-[2-bromo-2-(5-chlorothiophen-2-yl)ethyl]-1H-imidazole
CID 62277273
2-[2-bromo-2-(2,3,4-trimethoxyphenyl)ethyl]-1H-imidazole
CID 61095780
N-[1-(4-chloro-2-fluorophenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
CID 43498011
1-(4-bromo-2-chlorophenyl)-2-(1H-imidazol-2-yl)-N-methylethanamine
CID 43805254
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
2-[2-chloro-2-(3-chlorophenyl)ethyl]-1H-imidazole
CID 61086064

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-2-(2-bromo-4-chlorophenyl)ethyl]-1H-imidazole?
The IUPAC name of 2-[2-bromo-2-(2-bromo-4-chlorophenyl)ethyl]-1H-imidazole (CID 107991767) is 2-[2-bromo-2-(2-bromo-4-chlorophenyl)ethyl]-1H-imidazole.
What is the SMILES notation for 2-[2-bromo-2-(2-bromo-4-chlorophenyl)ethyl]-1H-imidazole?
The canonical SMILES for 2-[2-bromo-2-(2-bromo-4-chlorophenyl)ethyl]-1H-imidazole is Clc1ccc(C(Br)Cc2ncc[nH]2)c(Br)c1.
What is the InChIKey of 2-[2-bromo-2-(2-bromo-4-chlorophenyl)ethyl]-1H-imidazole?
The InChIKey is POFUWAFYJOTEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br2ClN2/c12-9-5-7(14)1-2-8(9)10(13)6-11-15-3-4-16-11/h1-5,10H,6H2,(H,15,16).
What are the key properties of 2-[2-bromo-2-(2-bromo-4-chlorophenyl)ethyl]-1H-imidazole?
2-[2-bromo-2-(2-bromo-4-chlorophenyl)ethyl]-1H-imidazole has a molecular weight of 364.47 g/mol, XLogP of 4.50, 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-(2-bromo-4-chlorophenyl)ethyl]-1H-imidazole is sourced from PubChem (CID 107991767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).