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

C9H8BrClN2S — CID 80642020

IUPAC2-[2-bromo-2-(3-chlorothiophen-2-yl)ethyl]-1H-imidazole
SMILESClc1ccsc1C(Br)Cc1ncc[nH]1
InChIInChI=1S/C9H8BrClN2S/c10-6(5-8-12-2-3-13-8)9-7(11)1-4-14-9/h1-4,6H,5H2,(H,12,13)
InChIKeyPLHYVJPJBIPBPM-UHFFFAOYSA-N
MW291.60 g/mol
LogP3.80
Rot. Bonds3

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

2-[2-bromo-2-(3-chlorothiophen-2-yl)ethyl]-1H-imidazole (PubChem CID 80642020) has the molecular formula C9H8BrClN2S and a molecular weight of 291.60 g/mol. Its IUPAC name is 2-[2-bromo-2-(3-chlorothiophen-2-yl)ethyl]-1H-imidazole.

Molecular Properties

Compound Name2-[2-bromo-2-(3-chlorothiophen-2-yl)ethyl]-1H-imidazole
PubChem CID80642020
Molecular FormulaC9H8BrClN2S
Molecular Weight291.60 g/mol
Exact Mass289.93
IUPAC Name2-[2-bromo-2-(3-chlorothiophen-2-yl)ethyl]-1H-imidazole
SMILESClc1ccsc1C(Br)Cc1ncc[nH]1
InChIInChI=1S/C9H8BrClN2S/c10-6(5-8-12-2-3-13-8)9-7(11)1-4-14-9/h1-4,6H,5H2,(H,12,13)
InChIKeyPLHYVJPJBIPBPM-UHFFFAOYSA-N
XLogP3.80
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.60
LogP ≤ 53.80
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-methylthiophen-2-yl)ethyl]-1H-imidazole
CID 61098789
2-[2-bromo-2-(5-chlorothiophen-2-yl)ethyl]-1H-imidazole
CID 62277273
2-(1H-imidazol-2-yl)-1-(3-iodothiophen-2-yl)ethanamine
CID 130576033
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-chlorothiophen-2-yl)ethyl]-5-methylpyridine
CID 80641674
2-[2-bromo-2-(5-chloro-2-fluorophenyl)ethyl]-1H-imidazole
CID 61098179
2-[2-bromo-2-(2-bromo-4-chlorophenyl)ethyl]-1H-imidazole
CID 107991767
2-[1-bromo-2-(2,6-difluorophenyl)ethyl]-3-chlorothiophene
CID 80530359
2-(2-bromopropyl)-1H-imidazole
CID 61096377
2-[2-bromo-2-(4-methylphenyl)ethyl]-1H-imidazole
CID 61096176
2-(1-bromo-4-methylpentyl)-3-chlorothiophene
CID 80530517

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-2-(3-chlorothiophen-2-yl)ethyl]-1H-imidazole?
The IUPAC name of 2-[2-bromo-2-(3-chlorothiophen-2-yl)ethyl]-1H-imidazole (CID 80642020) is 2-[2-bromo-2-(3-chlorothiophen-2-yl)ethyl]-1H-imidazole.
What is the SMILES notation for 2-[2-bromo-2-(3-chlorothiophen-2-yl)ethyl]-1H-imidazole?
The canonical SMILES for 2-[2-bromo-2-(3-chlorothiophen-2-yl)ethyl]-1H-imidazole is Clc1ccsc1C(Br)Cc1ncc[nH]1.
What is the InChIKey of 2-[2-bromo-2-(3-chlorothiophen-2-yl)ethyl]-1H-imidazole?
The InChIKey is PLHYVJPJBIPBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClN2S/c10-6(5-8-12-2-3-13-8)9-7(11)1-4-14-9/h1-4,6H,5H2,(H,12,13).
What are the key properties of 2-[2-bromo-2-(3-chlorothiophen-2-yl)ethyl]-1H-imidazole?
2-[2-bromo-2-(3-chlorothiophen-2-yl)ethyl]-1H-imidazole has a molecular weight of 291.60 g/mol, XLogP of 3.80, 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-chlorothiophen-2-yl)ethyl]-1H-imidazole is sourced from PubChem (CID 80642020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).