1-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]ethanone

C9H7BrN2OS — CID 116880680

IUPAC1-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]ethanone
SMILESCC(=O)c1ncc(-c2cc(Br)cs2)[nH]1
InChIInChI=1S/C9H7BrN2OS/c1-5(13)9-11-3-7(12-9)8-2-6(10)4-14-8/h2-4H,1H3,(H,11,12)
InChIKeyUJJKHRDRXQUQFP-UHFFFAOYSA-N
MW271.14 g/mol
LogP3.10
Rot. Bonds2

About 1-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]ethanone

1-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]ethanone (PubChem CID 116880680) has the molecular formula C9H7BrN2OS and a molecular weight of 271.14 g/mol. Its IUPAC name is 1-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]ethanone
PubChem CID116880680
Molecular FormulaC9H7BrN2OS
Molecular Weight271.14 g/mol
Exact Mass269.95
IUPAC Name1-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]ethanone
SMILESCC(=O)c1ncc(-c2cc(Br)cs2)[nH]1
InChIInChI=1S/C9H7BrN2OS/c1-5(13)9-11-3-7(12-9)8-2-6(10)4-14-8/h2-4H,1H3,(H,11,12)
InChIKeyUJJKHRDRXQUQFP-UHFFFAOYSA-N
XLogP3.10
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.14
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]cyclopropane-1-carboxylic acid
CID 116881964
1-[5-(2,3,5,6-tetramethylphenyl)-1H-imidazol-2-yl]ethanone
CID 116880650
2-amino-2-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]ethanol
CID 116881580
4-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]piperidine
CID 82308947
1-[5-(2-methylphenyl)-1H-imidazol-2-yl]ethanone
CID 116880715
5-(2-carboxy-1H-imidazol-5-yl)-1H-imidazole-2-carboxylic acid
CID 90717286
1-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]ethanone
CID 116880620
1-[5-(4-methylsulfanylphenyl)-1H-imidazol-2-yl]ethanone
CID 116880689
3-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]-1-methylpiperazine
CID 116881125
6-(2-acetyl-1H-imidazol-5-yl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116880657
1-[5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazol-2-yl]ethanone
CID 116880631
1-[2-(4-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 47302510

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]ethanone?
The IUPAC name of 1-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]ethanone (CID 116880680) is 1-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]ethanone.
What is the SMILES notation for 1-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]ethanone?
The canonical SMILES for 1-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]ethanone is CC(=O)c1ncc(-c2cc(Br)cs2)[nH]1.
What is the InChIKey of 1-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]ethanone?
The InChIKey is UJJKHRDRXQUQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2OS/c1-5(13)9-11-3-7(12-9)8-2-6(10)4-14-8/h2-4H,1H3,(H,11,12).
What are the key properties of 1-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]ethanone?
1-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]ethanone has a molecular weight of 271.14 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]ethanone is sourced from PubChem (CID 116880680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).