1-(4-bromothiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanol

C10H11BrN2OS — CID 79752976

IUPAC1-(4-bromothiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanol
SMILESCn1ccnc1CC(O)c1cc(Br)cs1
InChIInChI=1S/C10H11BrN2OS/c1-13-3-2-12-10(13)5-8(14)9-4-7(11)6-15-9/h2-4,6,8,14H,5H2,1H3
InChIKeyOIVWQDZFTUYCCK-UHFFFAOYSA-N
MW287.18 g/mol
LogP2.52
Rot. Bonds3

About 1-(4-bromothiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanol

1-(4-bromothiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanol (PubChem CID 79752976) has the molecular formula C10H11BrN2OS and a molecular weight of 287.18 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanol
PubChem CID79752976
Molecular FormulaC10H11BrN2OS
Molecular Weight287.18 g/mol
Exact Mass285.98
IUPAC Name1-(4-bromothiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanol
SMILESCn1ccnc1CC(O)c1cc(Br)cs1
InChIInChI=1S/C10H11BrN2OS/c1-13-3-2-12-10(13)5-8(14)9-4-7(11)6-15-9/h2-4,6,8,14H,5H2,1H3
InChIKeyOIVWQDZFTUYCCK-UHFFFAOYSA-N
XLogP2.52
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.18
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methylimidazol-2-yl)-1-thiophen-2-ylethanol
CID 79745049
1-(4-bromo-2-methylphenyl)-2-(1-methylimidazol-2-yl)ethanol
CID 115820394
1-(2-bromo-4,5-dimethoxyphenyl)-2-(1-methylimidazol-2-yl)ethanol
CID 79743952
1-(1-benzothiophen-3-yl)-2-(1-methylimidazol-2-yl)ethanol
CID 79744320
[1-(4-bromothiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]hydrazine
CID 105222666
1-(3,5-dibromophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 107978722
2-(1-methylimidazol-2-yl)-1-pyrazin-2-ylethanol
CID 79752608
1-(4-bromothiophen-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 64773157
1-(2,4-dichlorophenyl)-2-(1-methylimidazol-2-yl)ethanol
CID 56692684
1-(furan-3-yl)-2-(1-methylimidazol-2-yl)ethanol
CID 79744054
N-[1-(4-bromothiophen-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine
CID 79752603
1-(4-bromo-2,6-difluorophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 115837980

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanol?
The IUPAC name of 1-(4-bromothiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanol (CID 79752976) is 1-(4-bromothiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanol.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanol?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanol is Cn1ccnc1CC(O)c1cc(Br)cs1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanol?
The InChIKey is OIVWQDZFTUYCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2OS/c1-13-3-2-12-10(13)5-8(14)9-4-7(11)6-15-9/h2-4,6,8,14H,5H2,1H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanol?
1-(4-bromothiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanol has a molecular weight of 287.18 g/mol, XLogP of 2.52, 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)-2-(1-methylimidazol-2-yl)ethanol is sourced from PubChem (CID 79752976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).