2-[2-bromo-2-(5-chloro-2-fluorophenyl)ethyl]-1H-imidazole

C11H9BrClFN2 — CID 61098179

IUPAC2-[2-bromo-2-(5-chloro-2-fluorophenyl)ethyl]-1H-imidazole
SMILESFc1ccc(Cl)cc1C(Br)Cc1ncc[nH]1
InChIInChI=1S/C11H9BrClFN2/c12-9(6-11-15-3-4-16-11)8-5-7(13)1-2-10(8)14/h1-5,9H,6H2,(H,15,16)
InChIKeyNGGQUGRBNOEBRK-UHFFFAOYSA-N
MW303.56 g/mol
LogP3.88
Rot. Bonds3

About 2-[2-bromo-2-(5-chloro-2-fluorophenyl)ethyl]-1H-imidazole

2-[2-bromo-2-(5-chloro-2-fluorophenyl)ethyl]-1H-imidazole (PubChem CID 61098179) has the molecular formula C11H9BrClFN2 and a molecular weight of 303.56 g/mol. Its IUPAC name is 2-[2-bromo-2-(5-chloro-2-fluorophenyl)ethyl]-1H-imidazole.

Molecular Properties

Compound Name2-[2-bromo-2-(5-chloro-2-fluorophenyl)ethyl]-1H-imidazole
PubChem CID61098179
Molecular FormulaC11H9BrClFN2
Molecular Weight303.56 g/mol
Exact Mass301.96
IUPAC Name2-[2-bromo-2-(5-chloro-2-fluorophenyl)ethyl]-1H-imidazole
SMILESFc1ccc(Cl)cc1C(Br)Cc1ncc[nH]1
InChIInChI=1S/C11H9BrClFN2/c12-9(6-11-15-3-4-16-11)8-5-7(13)1-2-10(8)14/h1-5,9H,6H2,(H,15,16)
InChIKeyNGGQUGRBNOEBRK-UHFFFAOYSA-N
XLogP3.88
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.56
LogP ≤ 53.88
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-(2-bromo-4-chlorophenyl)ethyl]-1H-imidazole
CID 107991767
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-bromo-2-(3-fluoro-4-methylphenyl)ethyl]-1H-imidazole
CID 61096376
2-[2-(4-bromo-2-fluorophenyl)-2-chloroethyl]-1H-imidazole
CID 61084433
N-[1-(4-chloro-2-fluorophenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
CID 43498011
2-[2-chloro-2-(3,4-difluorophenyl)ethyl]-1H-imidazole
CID 61085454
1-(2-fluoro-5-methylphenyl)-2-(1H-imidazol-2-yl)ethanamine
CID 62516018
2-[2-bromo-2-(5-chlorothiophen-2-yl)ethyl]-1H-imidazole
CID 62277273
2-[2-bromo-2-(3-chlorothiophen-2-yl)ethyl]-1H-imidazole
CID 80642020
2-[2-chloro-2-(3-chlorophenyl)ethyl]-1H-imidazole
CID 61086064
2-[1-bromo-2-(3-fluorophenyl)ethyl]-4-chloro-1-fluorobenzene
CID 63543856

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-2-(5-chloro-2-fluorophenyl)ethyl]-1H-imidazole?
The IUPAC name of 2-[2-bromo-2-(5-chloro-2-fluorophenyl)ethyl]-1H-imidazole (CID 61098179) is 2-[2-bromo-2-(5-chloro-2-fluorophenyl)ethyl]-1H-imidazole.
What is the SMILES notation for 2-[2-bromo-2-(5-chloro-2-fluorophenyl)ethyl]-1H-imidazole?
The canonical SMILES for 2-[2-bromo-2-(5-chloro-2-fluorophenyl)ethyl]-1H-imidazole is Fc1ccc(Cl)cc1C(Br)Cc1ncc[nH]1.
What is the InChIKey of 2-[2-bromo-2-(5-chloro-2-fluorophenyl)ethyl]-1H-imidazole?
The InChIKey is NGGQUGRBNOEBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClFN2/c12-9(6-11-15-3-4-16-11)8-5-7(13)1-2-10(8)14/h1-5,9H,6H2,(H,15,16).
What are the key properties of 2-[2-bromo-2-(5-chloro-2-fluorophenyl)ethyl]-1H-imidazole?
2-[2-bromo-2-(5-chloro-2-fluorophenyl)ethyl]-1H-imidazole has a molecular weight of 303.56 g/mol, XLogP of 3.88, 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-(5-chloro-2-fluorophenyl)ethyl]-1H-imidazole is sourced from PubChem (CID 61098179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).