2-[2-(4-bromophenyl)-2-chloroethyl]-1H-imidazole

C11H10BrClN2 — CID 61086063

IUPAC2-[2-(4-bromophenyl)-2-chloroethyl]-1H-imidazole
SMILESClC(Cc1ncc[nH]1)c1ccc(Br)cc1
InChIInChI=1S/C11H10BrClN2/c12-9-3-1-8(2-4-9)10(13)7-11-14-5-6-15-11/h1-6,10H,7H2,(H,14,15)
InChIKeyWXILVABRKAEHPA-UHFFFAOYSA-N
MW285.57 g/mol
LogP3.69
Rot. Bonds3

About 2-[2-(4-bromophenyl)-2-chloroethyl]-1H-imidazole

2-[2-(4-bromophenyl)-2-chloroethyl]-1H-imidazole (PubChem CID 61086063) has the molecular formula C11H10BrClN2 and a molecular weight of 285.57 g/mol. Its IUPAC name is 2-[2-(4-bromophenyl)-2-chloroethyl]-1H-imidazole.

Molecular Properties

Compound Name2-[2-(4-bromophenyl)-2-chloroethyl]-1H-imidazole
PubChem CID61086063
Molecular FormulaC11H10BrClN2
Molecular Weight285.57 g/mol
Exact Mass283.97
IUPAC Name2-[2-(4-bromophenyl)-2-chloroethyl]-1H-imidazole
SMILESClC(Cc1ncc[nH]1)c1ccc(Br)cc1
InChIInChI=1S/C11H10BrClN2/c12-9-3-1-8(2-4-9)10(13)7-11-14-5-6-15-11/h1-6,10H,7H2,(H,14,15)
InChIKeyWXILVABRKAEHPA-UHFFFAOYSA-N
XLogP3.69
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.57
LogP ≤ 53.69
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-chloro-2-(4-iodophenyl)ethyl]-1H-imidazole
CID 61085033
4-[1-chloro-2-(1H-imidazol-2-yl)ethyl]pyridine
CID 114996059
2-[2-chloro-2-(4-methylsulfanylphenyl)ethyl]-1H-imidazole
CID 79217007
2-[2-chloro-2-(4-methoxyphenyl)ethyl]-1H-imidazole
CID 61086262
2-[2-(4-bromo-2-fluorophenyl)-2-chloroethyl]-1H-imidazole
CID 61084433
2-[2-chloro-2-(3,4-difluorophenyl)ethyl]-1H-imidazole
CID 61085454
2-[2-chloro-2-(3-chloro-4-iodophenyl)ethyl]-1H-imidazole
CID 103210719
2-[2-chloro-2-(3-chlorophenyl)ethyl]-1H-imidazole
CID 61086064
2-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-1H-imidazole
CID 61085662
2-[2-chloro-2-(3-fluoro-4-methoxyphenyl)ethyl]-1H-imidazole
CID 62920751
2-[2-(2-bromo-6-fluorophenyl)-2-chloroethyl]-1H-imidazole
CID 114560589
2-[2-bromo-2-(4-bromo-2-chlorophenyl)ethyl]-1H-imidazole
CID 61095782

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromophenyl)-2-chloroethyl]-1H-imidazole?
The IUPAC name of 2-[2-(4-bromophenyl)-2-chloroethyl]-1H-imidazole (CID 61086063) is 2-[2-(4-bromophenyl)-2-chloroethyl]-1H-imidazole.
What is the SMILES notation for 2-[2-(4-bromophenyl)-2-chloroethyl]-1H-imidazole?
The canonical SMILES for 2-[2-(4-bromophenyl)-2-chloroethyl]-1H-imidazole is ClC(Cc1ncc[nH]1)c1ccc(Br)cc1.
What is the InChIKey of 2-[2-(4-bromophenyl)-2-chloroethyl]-1H-imidazole?
The InChIKey is WXILVABRKAEHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN2/c12-9-3-1-8(2-4-9)10(13)7-11-14-5-6-15-11/h1-6,10H,7H2,(H,14,15).
What are the key properties of 2-[2-(4-bromophenyl)-2-chloroethyl]-1H-imidazole?
2-[2-(4-bromophenyl)-2-chloroethyl]-1H-imidazole has a molecular weight of 285.57 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromophenyl)-2-chloroethyl]-1H-imidazole is sourced from PubChem (CID 61086063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).