5-[(3-bromothiophen-2-yl)-methoxymethyl]-1H-imidazole

C9H9BrN2OS — CID 10516365

IUPAC5-[(3-bromothiophen-2-yl)-methoxymethyl]-1H-imidazole
SMILESCOC(c1cnc[nH]1)c1sccc1Br
InChIInChI=1S/C9H9BrN2OS/c1-13-8(7-4-11-5-12-7)9-6(10)2-3-14-9/h2-5,8H,1H3,(H,11,12)
InChIKeyXVGBCLJGMXHPIV-UHFFFAOYSA-N
MW273.16 g/mol
LogP2.97
Rot. Bonds3

About 5-[(3-bromothiophen-2-yl)-methoxymethyl]-1H-imidazole

5-[(3-bromothiophen-2-yl)-methoxymethyl]-1H-imidazole (PubChem CID 10516365) has the molecular formula C9H9BrN2OS and a molecular weight of 273.16 g/mol. Its IUPAC name is 5-[(3-bromothiophen-2-yl)-methoxymethyl]-1H-imidazole.

Molecular Properties

Compound Name5-[(3-bromothiophen-2-yl)-methoxymethyl]-1H-imidazole
PubChem CID10516365
Molecular FormulaC9H9BrN2OS
Molecular Weight273.16 g/mol
Exact Mass271.96
IUPAC Name5-[(3-bromothiophen-2-yl)-methoxymethyl]-1H-imidazole
SMILESCOC(c1cnc[nH]1)c1sccc1Br
InChIInChI=1S/C9H9BrN2OS/c1-13-8(7-4-11-5-12-7)9-6(10)2-3-14-9/h2-5,8H,1H3,(H,11,12)
InChIKeyXVGBCLJGMXHPIV-UHFFFAOYSA-N
XLogP2.97
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromothiophen-2-yl)-methoxymethyl]-1H-imidazole?
The IUPAC name of 5-[(3-bromothiophen-2-yl)-methoxymethyl]-1H-imidazole (CID 10516365) is 5-[(3-bromothiophen-2-yl)-methoxymethyl]-1H-imidazole.
What is the SMILES notation for 5-[(3-bromothiophen-2-yl)-methoxymethyl]-1H-imidazole?
The canonical SMILES for 5-[(3-bromothiophen-2-yl)-methoxymethyl]-1H-imidazole is COC(c1cnc[nH]1)c1sccc1Br.
What is the InChIKey of 5-[(3-bromothiophen-2-yl)-methoxymethyl]-1H-imidazole?
The InChIKey is XVGBCLJGMXHPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2OS/c1-13-8(7-4-11-5-12-7)9-6(10)2-3-14-9/h2-5,8H,1H3,(H,11,12).
What are the key properties of 5-[(3-bromothiophen-2-yl)-methoxymethyl]-1H-imidazole?
5-[(3-bromothiophen-2-yl)-methoxymethyl]-1H-imidazole has a molecular weight of 273.16 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromothiophen-2-yl)-methoxymethyl]-1H-imidazole is sourced from PubChem (CID 10516365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).