[1-[(3-bromothiophen-2-yl)methyl]imidazol-2-yl]methanol

C9H9BrN2OS — CID 62222283

IUPAC[1-[(3-bromothiophen-2-yl)methyl]imidazol-2-yl]methanol
SMILESOCc1nccn1Cc1sccc1Br
InChIInChI=1S/C9H9BrN2OS/c10-7-1-4-14-8(7)5-12-3-2-11-9(12)6-13/h1-4,13H,5-6H2
InChIKeyDLADTHIEOFASTG-UHFFFAOYSA-N
MW273.15 g/mol
LogP2.25
Rot. Bonds3

About [1-[(3-bromothiophen-2-yl)methyl]imidazol-2-yl]methanol

[1-[(3-bromothiophen-2-yl)methyl]imidazol-2-yl]methanol (PubChem CID 62222283) has the molecular formula C9H9BrN2OS and a molecular weight of 273.15 g/mol. Its IUPAC name is [1-[(3-bromothiophen-2-yl)methyl]imidazol-2-yl]methanol.

Molecular Properties

Compound Name[1-[(3-bromothiophen-2-yl)methyl]imidazol-2-yl]methanol
PubChem CID62222283
Molecular FormulaC9H9BrN2OS
Molecular Weight273.15 g/mol
Exact Mass271.96
IUPAC Name[1-[(3-bromothiophen-2-yl)methyl]imidazol-2-yl]methanol
SMILESOCc1nccn1Cc1sccc1Br
InChIInChI=1S/C9H9BrN2OS/c10-7-1-4-14-8(7)5-12-3-2-11-9(12)6-13/h1-4,13H,5-6H2
InChIKeyDLADTHIEOFASTG-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 ≤ 500273.15
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-[(3-bromothiophen-2-yl)methyl]imidazol-2-yl]methanol?
The IUPAC name of [1-[(3-bromothiophen-2-yl)methyl]imidazol-2-yl]methanol (CID 62222283) is [1-[(3-bromothiophen-2-yl)methyl]imidazol-2-yl]methanol.
What is the SMILES notation for [1-[(3-bromothiophen-2-yl)methyl]imidazol-2-yl]methanol?
The canonical SMILES for [1-[(3-bromothiophen-2-yl)methyl]imidazol-2-yl]methanol is OCc1nccn1Cc1sccc1Br.
What is the InChIKey of [1-[(3-bromothiophen-2-yl)methyl]imidazol-2-yl]methanol?
The InChIKey is DLADTHIEOFASTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2OS/c10-7-1-4-14-8(7)5-12-3-2-11-9(12)6-13/h1-4,13H,5-6H2.
What are the key properties of [1-[(3-bromothiophen-2-yl)methyl]imidazol-2-yl]methanol?
[1-[(3-bromothiophen-2-yl)methyl]imidazol-2-yl]methanol has a molecular weight of 273.15 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-[(3-bromothiophen-2-yl)methyl]imidazol-2-yl]methanol is sourced from PubChem (CID 62222283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).