1-(1-benzothiophen-3-yl)-2-(1-methylimidazol-2-yl)ethanol

C14H14N2OS — CID 79744320

IUPAC1-(1-benzothiophen-3-yl)-2-(1-methylimidazol-2-yl)ethanol
SMILESCn1ccnc1CC(O)c1csc2ccccc12
InChIInChI=1S/C14H14N2OS/c1-16-7-6-15-14(16)8-12(17)11-9-18-13-5-3-2-4-10(11)13/h2-7,9,12,17H,8H2,1H3
InChIKeyUTIVBCIORNUSCC-UHFFFAOYSA-N
MW258.35 g/mol
LogP2.91
Rot. Bonds3

About 1-(1-benzothiophen-3-yl)-2-(1-methylimidazol-2-yl)ethanol

1-(1-benzothiophen-3-yl)-2-(1-methylimidazol-2-yl)ethanol (PubChem CID 79744320) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-2-(1-methylimidazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-2-(1-methylimidazol-2-yl)ethanol
PubChem CID79744320
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Name1-(1-benzothiophen-3-yl)-2-(1-methylimidazol-2-yl)ethanol
SMILESCn1ccnc1CC(O)c1csc2ccccc12
InChIInChI=1S/C14H14N2OS/c1-16-7-6-15-14(16)8-12(17)11-9-18-13-5-3-2-4-10(11)13/h2-7,9,12,17H,8H2,1H3
InChIKeyUTIVBCIORNUSCC-UHFFFAOYSA-N
XLogP2.91
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzothiophen-3-yl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 105049957
1-(1-benzothiophen-3-yl)-2-(1,3-thiazol-2-yl)ethanol
CID 79823876
2-(1-methylimidazol-2-yl)-1-thiophen-2-ylethanol
CID 79745049
1-(2-ethylphenyl)-2-(1-methylimidazol-2-yl)ethanol
CID 79744422
2-(1-methylimidazol-2-yl)-1-quinolin-5-ylethanol
CID 105113593
[1-benzothiophen-3-yl-(1-methylimidazol-2-yl)methyl]hydrazine
CID 105308265
2-(1-methylimidazol-2-yl)-1-quinolin-8-ylethanol
CID 79744882
1-(1-benzothiophen-3-yl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 79739397
1-(4-bromothiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanol
CID 79752976
N-(1-benzothiophen-3-ylmethyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 55108547
1-(3-chloro-4-pyridinyl)-2-(1-methylimidazol-2-yl)ethanol
CID 105113541
1-(1,5-dimethylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)ethanol
CID 79744159

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-2-(1-methylimidazol-2-yl)ethanol?
The IUPAC name of 1-(1-benzothiophen-3-yl)-2-(1-methylimidazol-2-yl)ethanol (CID 79744320) is 1-(1-benzothiophen-3-yl)-2-(1-methylimidazol-2-yl)ethanol.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-2-(1-methylimidazol-2-yl)ethanol?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-2-(1-methylimidazol-2-yl)ethanol is Cn1ccnc1CC(O)c1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-2-(1-methylimidazol-2-yl)ethanol?
The InChIKey is UTIVBCIORNUSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c1-16-7-6-15-14(16)8-12(17)11-9-18-13-5-3-2-4-10(11)13/h2-7,9,12,17H,8H2,1H3.
What are the key properties of 1-(1-benzothiophen-3-yl)-2-(1-methylimidazol-2-yl)ethanol?
1-(1-benzothiophen-3-yl)-2-(1-methylimidazol-2-yl)ethanol has a molecular weight of 258.35 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-2-(1-methylimidazol-2-yl)ethanol is sourced from PubChem (CID 79744320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).