(4-bromo-5-methylthiophen-2-yl)-(1-methylimidazol-2-yl)methanol

C10H11BrN2OS — CID 102829554

IUPAC(4-bromo-5-methylthiophen-2-yl)-(1-methylimidazol-2-yl)methanol
SMILESCc1sc(C(O)c2nccn2C)cc1Br
InChIInChI=1S/C10H11BrN2OS/c1-6-7(11)5-8(15-6)9(14)10-12-3-4-13(10)2/h3-5,9,14H,1-2H3
InChIKeyLMXOMOCLMAMPOB-UHFFFAOYSA-N
MW287.18 g/mol
LogP2.63
Rot. Bonds2

About (4-bromo-5-methylthiophen-2-yl)-(1-methylimidazol-2-yl)methanol

(4-bromo-5-methylthiophen-2-yl)-(1-methylimidazol-2-yl)methanol (PubChem CID 102829554) has the molecular formula C10H11BrN2OS and a molecular weight of 287.18 g/mol. Its IUPAC name is (4-bromo-5-methylthiophen-2-yl)-(1-methylimidazol-2-yl)methanol.

Molecular Properties

Compound Name(4-bromo-5-methylthiophen-2-yl)-(1-methylimidazol-2-yl)methanol
PubChem CID102829554
Molecular FormulaC10H11BrN2OS
Molecular Weight287.18 g/mol
Exact Mass285.98
IUPAC Name(4-bromo-5-methylthiophen-2-yl)-(1-methylimidazol-2-yl)methanol
SMILESCc1sc(C(O)c2nccn2C)cc1Br
InChIInChI=1S/C10H11BrN2OS/c1-6-7(11)5-8(15-6)9(14)10-12-3-4-13(10)2/h3-5,9,14H,1-2H3
InChIKeyLMXOMOCLMAMPOB-UHFFFAOYSA-N
XLogP2.63
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.18
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromo-5-chlorothiophen-2-yl)-(1-ethylimidazol-2-yl)methanol
CID 102830320
1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 80538939
(3-bromo-2,6-difluorophenyl)-(4-bromo-5-methylthiophen-2-yl)methanol
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methane;1-(1-methylimidazol-2-yl)ethanol
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1-(4-bromo-5-methylthiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol
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(4-bromo-5-methylthiophen-2-yl)-(4-propylphenyl)methanol
CID 102829642
(3-ethyl-1-methylpyrazol-5-yl)-(1-methylimidazol-2-yl)methanol
CID 105098896
(3-chloro-4-methylphenyl)-(1-methylimidazol-2-yl)methanol
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(4-bromo-5-methylthiophen-2-yl)-(3-ethylphenyl)methanol
CID 102829560
2-(1-bromobutyl)-1-methylimidazole
CID 175381237
(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methanol
CID 26722436
(2,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanol
CID 2891507

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-methylthiophen-2-yl)-(1-methylimidazol-2-yl)methanol?
The IUPAC name of (4-bromo-5-methylthiophen-2-yl)-(1-methylimidazol-2-yl)methanol (CID 102829554) is (4-bromo-5-methylthiophen-2-yl)-(1-methylimidazol-2-yl)methanol.
What is the SMILES notation for (4-bromo-5-methylthiophen-2-yl)-(1-methylimidazol-2-yl)methanol?
The canonical SMILES for (4-bromo-5-methylthiophen-2-yl)-(1-methylimidazol-2-yl)methanol is Cc1sc(C(O)c2nccn2C)cc1Br.
What is the InChIKey of (4-bromo-5-methylthiophen-2-yl)-(1-methylimidazol-2-yl)methanol?
The InChIKey is LMXOMOCLMAMPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2OS/c1-6-7(11)5-8(15-6)9(14)10-12-3-4-13(10)2/h3-5,9,14H,1-2H3.
What are the key properties of (4-bromo-5-methylthiophen-2-yl)-(1-methylimidazol-2-yl)methanol?
(4-bromo-5-methylthiophen-2-yl)-(1-methylimidazol-2-yl)methanol has a molecular weight of 287.18 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-5-methylthiophen-2-yl)-(1-methylimidazol-2-yl)methanol is sourced from PubChem (CID 102829554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).