2-(1-methylimidazol-2-yl)-1-thiophen-2-ylethanol

C10H12N2OS — CID 79745049

IUPAC2-(1-methylimidazol-2-yl)-1-thiophen-2-ylethanol
SMILESCn1ccnc1CC(O)c1cccs1
InChIInChI=1S/C10H12N2OS/c1-12-5-4-11-10(12)7-8(13)9-3-2-6-14-9/h2-6,8,13H,7H2,1H3
InChIKeyRXOIWJVKTNIOTB-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.76
Rot. Bonds3

About 2-(1-methylimidazol-2-yl)-1-thiophen-2-ylethanol

2-(1-methylimidazol-2-yl)-1-thiophen-2-ylethanol (PubChem CID 79745049) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)-1-thiophen-2-ylethanol
PubChem CID79745049
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name2-(1-methylimidazol-2-yl)-1-thiophen-2-ylethanol
SMILESCn1ccnc1CC(O)c1cccs1
InChIInChI=1S/C10H12N2OS/c1-12-5-4-11-10(12)7-8(13)9-3-2-6-14-9/h2-6,8,13H,7H2,1H3
InChIKeyRXOIWJVKTNIOTB-UHFFFAOYSA-N
XLogP1.76
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromothiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanol
CID 79752976
1-(1-methylimidazol-2-yl)-5-thiophen-2-ylpentan-2-ol
CID 105113589
1-(1-benzothiophen-3-yl)-2-(1-methylimidazol-2-yl)ethanol
CID 79744320
2-amino-N-[(1-methylimidazol-2-yl)methyl]-2-thiophen-2-ylacetamide
CID 115287266
1-(2-ethylphenyl)-2-(1-methylimidazol-2-yl)ethanol
CID 79744422
1-(furan-3-yl)-2-(1-methylimidazol-2-yl)ethanol
CID 79744054
2-(1-methylimidazol-2-yl)-1-quinolin-8-ylethanol
CID 79744882
1-(1-methylimidazol-2-yl)-3-pyridin-4-ylpropan-2-ol
CID 79752618
N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]hydroxylamine
CID 82685624
2-(1-methylimidazol-2-yl)-1-pyrazin-2-ylethanol
CID 79752608
2-(1-methylimidazol-2-yl)-1-quinolin-5-ylethanol
CID 105113593
1-(3-methylfuran-2-yl)-2-(1-methylimidazol-2-yl)ethanol
CID 104800764

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)-1-thiophen-2-ylethanol?
The IUPAC name of 2-(1-methylimidazol-2-yl)-1-thiophen-2-ylethanol (CID 79745049) is 2-(1-methylimidazol-2-yl)-1-thiophen-2-ylethanol.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)-1-thiophen-2-ylethanol?
The canonical SMILES for 2-(1-methylimidazol-2-yl)-1-thiophen-2-ylethanol is Cn1ccnc1CC(O)c1cccs1.
What is the InChIKey of 2-(1-methylimidazol-2-yl)-1-thiophen-2-ylethanol?
The InChIKey is RXOIWJVKTNIOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c1-12-5-4-11-10(12)7-8(13)9-3-2-6-14-9/h2-6,8,13H,7H2,1H3.
What are the key properties of 2-(1-methylimidazol-2-yl)-1-thiophen-2-ylethanol?
2-(1-methylimidazol-2-yl)-1-thiophen-2-ylethanol has a molecular weight of 208.29 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)-1-thiophen-2-ylethanol is sourced from PubChem (CID 79745049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).