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

C9H7BrN2OS — CID 130502056

IUPAC1-[2-(5-bromothiophen-2-yl)-1H-imidazol-5-yl]ethanone
SMILESCC(=O)c1cnc(-c2ccc(Br)s2)[nH]1
InChIInChI=1S/C9H7BrN2OS/c1-5(13)6-4-11-9(12-6)7-2-3-8(10)14-7/h2-4H,1H3,(H,11,12)
InChIKeyFOQNCIIIZPDVMQ-UHFFFAOYSA-N
MW271.14 g/mol
LogP3.10
Rot. Bonds2

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

1-[2-(5-bromothiophen-2-yl)-1H-imidazol-5-yl]ethanone (PubChem CID 130502056) has the molecular formula C9H7BrN2OS and a molecular weight of 271.14 g/mol. Its IUPAC name is 1-[2-(5-bromothiophen-2-yl)-1H-imidazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(5-bromothiophen-2-yl)-1H-imidazol-5-yl]ethanone
PubChem CID130502056
Molecular FormulaC9H7BrN2OS
Molecular Weight271.14 g/mol
Exact Mass269.95
IUPAC Name1-[2-(5-bromothiophen-2-yl)-1H-imidazol-5-yl]ethanone
SMILESCC(=O)c1cnc(-c2ccc(Br)s2)[nH]1
InChIInChI=1S/C9H7BrN2OS/c1-5(13)6-4-11-9(12-6)7-2-3-8(10)14-7/h2-4H,1H3,(H,11,12)
InChIKeyFOQNCIIIZPDVMQ-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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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-bromothiophen-2-yl)-1H-imidazol-5-yl]ethanone?
The IUPAC name of 1-[2-(5-bromothiophen-2-yl)-1H-imidazol-5-yl]ethanone (CID 130502056) is 1-[2-(5-bromothiophen-2-yl)-1H-imidazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(5-bromothiophen-2-yl)-1H-imidazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(5-bromothiophen-2-yl)-1H-imidazol-5-yl]ethanone is CC(=O)c1cnc(-c2ccc(Br)s2)[nH]1.
What is the InChIKey of 1-[2-(5-bromothiophen-2-yl)-1H-imidazol-5-yl]ethanone?
The InChIKey is FOQNCIIIZPDVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2OS/c1-5(13)6-4-11-9(12-6)7-2-3-8(10)14-7/h2-4H,1H3,(H,11,12).
What are the key properties of 1-[2-(5-bromothiophen-2-yl)-1H-imidazol-5-yl]ethanone?
1-[2-(5-bromothiophen-2-yl)-1H-imidazol-5-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-[2-(5-bromothiophen-2-yl)-1H-imidazol-5-yl]ethanone is sourced from PubChem (CID 130502056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).