[1-[(4-bromothiophen-2-yl)methyl]imidazol-4-yl]methanol

C9H9BrN2OS — CID 106717530

IUPAC[1-[(4-bromothiophen-2-yl)methyl]imidazol-4-yl]methanol
SMILESOCc1cn(Cc2cc(Br)cs2)cn1
InChIInChI=1S/C9H9BrN2OS/c10-7-1-9(14-5-7)3-12-2-8(4-13)11-6-12/h1-2,5-6,13H,3-4H2
InChIKeyCPAHRZIEXFOLPO-UHFFFAOYSA-N
MW273.16 g/mol
LogP2.25
Rot. Bonds3

About [1-[(4-bromothiophen-2-yl)methyl]imidazol-4-yl]methanol

[1-[(4-bromothiophen-2-yl)methyl]imidazol-4-yl]methanol (PubChem CID 106717530) has the molecular formula C9H9BrN2OS and a molecular weight of 273.16 g/mol. Its IUPAC name is [1-[(4-bromothiophen-2-yl)methyl]imidazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(4-bromothiophen-2-yl)methyl]imidazol-4-yl]methanol
PubChem CID106717530
Molecular FormulaC9H9BrN2OS
Molecular Weight273.16 g/mol
Exact Mass271.96
IUPAC Name[1-[(4-bromothiophen-2-yl)methyl]imidazol-4-yl]methanol
SMILESOCc1cn(Cc2cc(Br)cs2)cn1
InChIInChI=1S/C9H9BrN2OS/c10-7-1-9(14-5-7)3-12-2-8(4-13)11-6-12/h1-2,5-6,13H,3-4H2
InChIKeyCPAHRZIEXFOLPO-UHFFFAOYSA-N
XLogP2.25
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-bromothiophen-2-yl)methyl]imidazol-4-yl]methanol?
The IUPAC name of [1-[(4-bromothiophen-2-yl)methyl]imidazol-4-yl]methanol (CID 106717530) is [1-[(4-bromothiophen-2-yl)methyl]imidazol-4-yl]methanol.
What is the SMILES notation for [1-[(4-bromothiophen-2-yl)methyl]imidazol-4-yl]methanol?
The canonical SMILES for [1-[(4-bromothiophen-2-yl)methyl]imidazol-4-yl]methanol is OCc1cn(Cc2cc(Br)cs2)cn1.
What is the InChIKey of [1-[(4-bromothiophen-2-yl)methyl]imidazol-4-yl]methanol?
The InChIKey is CPAHRZIEXFOLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2OS/c10-7-1-9(14-5-7)3-12-2-8(4-13)11-6-12/h1-2,5-6,13H,3-4H2.
What are the key properties of [1-[(4-bromothiophen-2-yl)methyl]imidazol-4-yl]methanol?
[1-[(4-bromothiophen-2-yl)methyl]imidazol-4-yl]methanol has a molecular weight of 273.16 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-bromothiophen-2-yl)methyl]imidazol-4-yl]methanol is sourced from PubChem (CID 106717530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).