2-[2-(2-bromo-6-fluorophenyl)-2-chloroethyl]-1H-imidazole

C11H9BrClFN2 — CID 114560589

IUPAC2-[2-(2-bromo-6-fluorophenyl)-2-chloroethyl]-1H-imidazole
SMILESFc1cccc(Br)c1C(Cl)Cc1ncc[nH]1
InChIInChI=1S/C11H9BrClFN2/c12-7-2-1-3-9(14)11(7)8(13)6-10-15-4-5-16-10/h1-5,8H,6H2,(H,15,16)
InChIKeyYDUCIWCPCRVMEF-UHFFFAOYSA-N
MW303.56 g/mol
LogP3.83
Rot. Bonds3

About 2-[2-(2-bromo-6-fluorophenyl)-2-chloroethyl]-1H-imidazole

2-[2-(2-bromo-6-fluorophenyl)-2-chloroethyl]-1H-imidazole (PubChem CID 114560589) has the molecular formula C11H9BrClFN2 and a molecular weight of 303.56 g/mol. Its IUPAC name is 2-[2-(2-bromo-6-fluorophenyl)-2-chloroethyl]-1H-imidazole.

Molecular Properties

Compound Name2-[2-(2-bromo-6-fluorophenyl)-2-chloroethyl]-1H-imidazole
PubChem CID114560589
Molecular FormulaC11H9BrClFN2
Molecular Weight303.56 g/mol
Exact Mass301.96
IUPAC Name2-[2-(2-bromo-6-fluorophenyl)-2-chloroethyl]-1H-imidazole
SMILESFc1cccc(Br)c1C(Cl)Cc1ncc[nH]1
InChIInChI=1S/C11H9BrClFN2/c12-7-2-1-3-9(14)11(7)8(13)6-10-15-4-5-16-10/h1-5,8H,6H2,(H,15,16)
InChIKeyYDUCIWCPCRVMEF-UHFFFAOYSA-N
XLogP3.83
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 ≤ 53.83
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-(4-bromo-2-fluorophenyl)-2-chloroethyl]-1H-imidazole
CID 61084433
2-[2-(4-bromophenyl)-2-chloroethyl]-1H-imidazole
CID 61086063
2-[2-chloro-2-(3,4-difluorophenyl)ethyl]-1H-imidazole
CID 61085454
2-[2-chloro-2-(3-chlorophenyl)ethyl]-1H-imidazole
CID 61086064
1-[2-(2-bromo-6-fluorophenyl)-2-chloroethyl]naphthalene
CID 114560946
4-[1-chloro-2-(1H-imidazol-2-yl)ethyl]pyridine
CID 114996059
2-[2-chloro-2-(3-fluoro-4-methoxyphenyl)ethyl]-1H-imidazole
CID 62920751
2-[2-chloro-2-(4-iodophenyl)ethyl]-1H-imidazole
CID 61085033
2-[2-bromo-2-(2-bromo-4-chlorophenyl)ethyl]-1H-imidazole
CID 107991767
2-[2-chloro-2-(4-methylsulfanylphenyl)ethyl]-1H-imidazole
CID 79217007
2-[2-bromo-2-(5-chloro-2-fluorophenyl)ethyl]-1H-imidazole
CID 61098179
3-bromo-2-fluoro-N-(1H-imidazol-2-ylmethyl)aniline
CID 171673482

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-bromo-6-fluorophenyl)-2-chloroethyl]-1H-imidazole?
The IUPAC name of 2-[2-(2-bromo-6-fluorophenyl)-2-chloroethyl]-1H-imidazole (CID 114560589) is 2-[2-(2-bromo-6-fluorophenyl)-2-chloroethyl]-1H-imidazole.
What is the SMILES notation for 2-[2-(2-bromo-6-fluorophenyl)-2-chloroethyl]-1H-imidazole?
The canonical SMILES for 2-[2-(2-bromo-6-fluorophenyl)-2-chloroethyl]-1H-imidazole is Fc1cccc(Br)c1C(Cl)Cc1ncc[nH]1.
What is the InChIKey of 2-[2-(2-bromo-6-fluorophenyl)-2-chloroethyl]-1H-imidazole?
The InChIKey is YDUCIWCPCRVMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClFN2/c12-7-2-1-3-9(14)11(7)8(13)6-10-15-4-5-16-10/h1-5,8H,6H2,(H,15,16).
What are the key properties of 2-[2-(2-bromo-6-fluorophenyl)-2-chloroethyl]-1H-imidazole?
2-[2-(2-bromo-6-fluorophenyl)-2-chloroethyl]-1H-imidazole has a molecular weight of 303.56 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-bromo-6-fluorophenyl)-2-chloroethyl]-1H-imidazole is sourced from PubChem (CID 114560589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).