2-[2-bromo-2-(3-methylthiophen-2-yl)ethyl]-1H-imidazole

C10H11BrN2S — CID 61098789

IUPAC2-[2-bromo-2-(3-methylthiophen-2-yl)ethyl]-1H-imidazole
SMILESCc1ccsc1C(Br)Cc1ncc[nH]1
InChIInChI=1S/C10H11BrN2S/c1-7-2-5-14-10(7)8(11)6-9-12-3-4-13-9/h2-5,8H,6H2,1H3,(H,12,13)
InChIKeyZEHPMBAGGKJBLY-UHFFFAOYSA-N
MW271.18 g/mol
LogP3.46
Rot. Bonds3

About 2-[2-bromo-2-(3-methylthiophen-2-yl)ethyl]-1H-imidazole

2-[2-bromo-2-(3-methylthiophen-2-yl)ethyl]-1H-imidazole (PubChem CID 61098789) has the molecular formula C10H11BrN2S and a molecular weight of 271.18 g/mol. Its IUPAC name is 2-[2-bromo-2-(3-methylthiophen-2-yl)ethyl]-1H-imidazole.

Molecular Properties

Compound Name2-[2-bromo-2-(3-methylthiophen-2-yl)ethyl]-1H-imidazole
PubChem CID61098789
Molecular FormulaC10H11BrN2S
Molecular Weight271.18 g/mol
Exact Mass269.98
IUPAC Name2-[2-bromo-2-(3-methylthiophen-2-yl)ethyl]-1H-imidazole
SMILESCc1ccsc1C(Br)Cc1ncc[nH]1
InChIInChI=1S/C10H11BrN2S/c1-7-2-5-14-10(7)8(11)6-9-12-3-4-13-9/h2-5,8H,6H2,1H3,(H,12,13)
InChIKeyZEHPMBAGGKJBLY-UHFFFAOYSA-N
XLogP3.46
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.18
LogP ≤ 53.46
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-chlorothiophen-2-yl)ethyl]-1H-imidazole
CID 80642020
2-[2-bromo-2-(3-methylthiophen-2-yl)ethyl]-3-methylpyridine
CID 66453124
2-[2-bromo-2-(3,4-dimethylphenyl)ethyl]-1H-imidazole
CID 61096174
2-(2-bromopropyl)-1H-imidazole
CID 61096377
2-[2-bromo-3-(3,4-dimethylphenyl)propyl]-1H-imidazole
CID 62539146
2-(1H-imidazol-2-yl)-1-(3-iodothiophen-2-yl)ethanamine
CID 130576033
2-[2-bromo-2-(3-fluoro-4-methylphenyl)ethyl]-1H-imidazole
CID 61096376
N-(1H-imidazol-2-ylmethyl)-2-(3-methylthiophen-2-yl)ethanamine
CID 115897926
2-[2-bromo-2-(2,4,5-trimethylfuran-3-yl)ethyl]-1H-imidazole
CID 65152733
2-[bromo-(3,4-dimethylphenyl)methyl]-3-methylthiophene
CID 63435676
2-[2-bromo-2-(5-chlorothiophen-2-yl)ethyl]-1H-imidazole
CID 62277273
2-(2-bromo-4-methylpentyl)-1H-imidazole
CID 61096577

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-2-(3-methylthiophen-2-yl)ethyl]-1H-imidazole?
The IUPAC name of 2-[2-bromo-2-(3-methylthiophen-2-yl)ethyl]-1H-imidazole (CID 61098789) is 2-[2-bromo-2-(3-methylthiophen-2-yl)ethyl]-1H-imidazole.
What is the SMILES notation for 2-[2-bromo-2-(3-methylthiophen-2-yl)ethyl]-1H-imidazole?
The canonical SMILES for 2-[2-bromo-2-(3-methylthiophen-2-yl)ethyl]-1H-imidazole is Cc1ccsc1C(Br)Cc1ncc[nH]1.
What is the InChIKey of 2-[2-bromo-2-(3-methylthiophen-2-yl)ethyl]-1H-imidazole?
The InChIKey is ZEHPMBAGGKJBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2S/c1-7-2-5-14-10(7)8(11)6-9-12-3-4-13-9/h2-5,8H,6H2,1H3,(H,12,13).
What are the key properties of 2-[2-bromo-2-(3-methylthiophen-2-yl)ethyl]-1H-imidazole?
2-[2-bromo-2-(3-methylthiophen-2-yl)ethyl]-1H-imidazole has a molecular weight of 271.18 g/mol, XLogP of 3.46, 3 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-methylthiophen-2-yl)ethyl]-1H-imidazole is sourced from PubChem (CID 61098789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).