2-[2-bromo-2-(3-bromo-4-methoxyphenyl)ethyl]-1H-imidazole

C12H12Br2N2O — CID 61095982

IUPAC2-[2-bromo-2-(3-bromo-4-methoxyphenyl)ethyl]-1H-imidazole
SMILESCOc1ccc(C(Br)Cc2ncc[nH]2)cc1Br
InChIInChI=1S/C12H12Br2N2O/c1-17-11-3-2-8(6-10(11)14)9(13)7-12-15-4-5-16-12/h2-6,9H,7H2,1H3,(H,15,16)
InChIKeyFPLIDBFCFFSNQH-UHFFFAOYSA-N
MW360.05 g/mol
LogP3.86
Rot. Bonds4

About 2-[2-bromo-2-(3-bromo-4-methoxyphenyl)ethyl]-1H-imidazole

2-[2-bromo-2-(3-bromo-4-methoxyphenyl)ethyl]-1H-imidazole (PubChem CID 61095982) has the molecular formula C12H12Br2N2O and a molecular weight of 360.05 g/mol. Its IUPAC name is 2-[2-bromo-2-(3-bromo-4-methoxyphenyl)ethyl]-1H-imidazole.

Molecular Properties

Compound Name2-[2-bromo-2-(3-bromo-4-methoxyphenyl)ethyl]-1H-imidazole
PubChem CID61095982
Molecular FormulaC12H12Br2N2O
Molecular Weight360.05 g/mol
Exact Mass357.93
IUPAC Name2-[2-bromo-2-(3-bromo-4-methoxyphenyl)ethyl]-1H-imidazole
SMILESCOc1ccc(C(Br)Cc2ncc[nH]2)cc1Br
InChIInChI=1S/C12H12Br2N2O/c1-17-11-3-2-8(6-10(11)14)9(13)7-12-15-4-5-16-12/h2-6,9H,7H2,1H3,(H,15,16)
InChIKeyFPLIDBFCFFSNQH-UHFFFAOYSA-N
XLogP3.86
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.05
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-bromo-2-(3,4-dimethylphenyl)ethyl]-1H-imidazole
CID 61096174
4-[2-bromo-2-(3-bromo-4-methoxyphenyl)ethyl]pyridine
CID 66455485
2-[2-bromo-2-(2,3,4-trimethoxyphenyl)ethyl]-1H-imidazole
CID 61095780
2-[2-chloro-2-(3-fluoro-4-methoxyphenyl)ethyl]-1H-imidazole
CID 62920751
2-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-1-methoxybenzene
CID 63435247
2-bromo-4-[1-bromo-2-(3,4-dimethylphenyl)ethyl]-1-methoxybenzene
CID 63435707
N-(3-bromo-4-methoxyphenyl)-1H-imidazol-2-amine
CID 106573908
2-bromo-4-[1-bromo-2-(2-chlorophenyl)ethyl]-1-methoxybenzene
CID 63435432
2-bromo-4-[bromo-(3,4-dimethylphenyl)methyl]-1-methoxybenzene
CID 55198539
bromo-(3-bromo-4-methoxyphenyl)methanamine
CID 116947586
2-[2-chloro-2-(4-methoxyphenyl)ethyl]-1H-imidazole
CID 61086262
2-(1H-imidazol-2-yl)-1-(2,3,4-trimethoxyphenyl)ethanamine
CID 43635853

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-2-(3-bromo-4-methoxyphenyl)ethyl]-1H-imidazole?
The IUPAC name of 2-[2-bromo-2-(3-bromo-4-methoxyphenyl)ethyl]-1H-imidazole (CID 61095982) is 2-[2-bromo-2-(3-bromo-4-methoxyphenyl)ethyl]-1H-imidazole.
What is the SMILES notation for 2-[2-bromo-2-(3-bromo-4-methoxyphenyl)ethyl]-1H-imidazole?
The canonical SMILES for 2-[2-bromo-2-(3-bromo-4-methoxyphenyl)ethyl]-1H-imidazole is COc1ccc(C(Br)Cc2ncc[nH]2)cc1Br.
What is the InChIKey of 2-[2-bromo-2-(3-bromo-4-methoxyphenyl)ethyl]-1H-imidazole?
The InChIKey is FPLIDBFCFFSNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Br2N2O/c1-17-11-3-2-8(6-10(11)14)9(13)7-12-15-4-5-16-12/h2-6,9H,7H2,1H3,(H,15,16).
What are the key properties of 2-[2-bromo-2-(3-bromo-4-methoxyphenyl)ethyl]-1H-imidazole?
2-[2-bromo-2-(3-bromo-4-methoxyphenyl)ethyl]-1H-imidazole has a molecular weight of 360.05 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-2-(3-bromo-4-methoxyphenyl)ethyl]-1H-imidazole is sourced from PubChem (CID 61095982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).