1-(5-chlorothiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethanol

C11H13ClN2OS — CID 79744784

IUPAC1-(5-chlorothiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethanol
SMILESCCn1ccnc1CC(O)c1ccc(Cl)s1
InChIInChI=1S/C11H13ClN2OS/c1-2-14-6-5-13-11(14)7-8(15)9-3-4-10(12)16-9/h3-6,8,15H,2,7H2,1H3
InChIKeyDXUKUXPBJUWEEA-UHFFFAOYSA-N
MW256.76 g/mol
LogP2.89
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethanol

1-(5-chlorothiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethanol (PubChem CID 79744784) has the molecular formula C11H13ClN2OS and a molecular weight of 256.76 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethanol
PubChem CID79744784
Molecular FormulaC11H13ClN2OS
Molecular Weight256.76 g/mol
Exact Mass256.04
IUPAC Name1-(5-chlorothiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethanol
SMILESCCn1ccnc1CC(O)c1ccc(Cl)s1
InChIInChI=1S/C11H13ClN2OS/c1-2-14-6-5-13-11(14)7-8(15)9-3-4-10(12)16-9/h3-6,8,15H,2,7H2,1H3
InChIKeyDXUKUXPBJUWEEA-UHFFFAOYSA-N
XLogP2.89
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.76
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzothiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethanol
CID 115819253
2-(1-ethylimidazol-2-yl)-1-pyridin-2-ylethanol
CID 79743859
1-(4-cyclopropylphenyl)-2-(1-ethylimidazol-2-yl)ethanol
CID 79980251
2-(1-ethylimidazol-2-yl)-1-(6-methyl-3-pyridinyl)ethanol
CID 104823019
2-(1-ethylimidazol-2-yl)-1-(thiadiazol-4-yl)ethanol
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2-(1-ethylimidazol-2-yl)-1-(3-methylimidazol-4-yl)ethanol
CID 79744158
2-(1-ethylimidazol-2-yl)-1-(2-iodophenyl)ethanol
CID 115819308
2-(1-ethylimidazol-2-yl)-1-(2-fluorophenyl)ethanol
CID 79744598
[1-(5-chlorothiophen-2-yl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 105322913
1-(4-chlorophenoxy)-3-(1-ethylimidazol-2-yl)propan-2-ol
CID 105112243
1-(2-tert-butylphenyl)-2-(1-ethylimidazol-2-yl)ethanol
CID 115819265
2-(1-ethylimidazol-2-yl)-1-[4-(methoxymethyl)phenyl]ethanol
CID 79744333

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethanol?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethanol (CID 79744784) is 1-(5-chlorothiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethanol.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethanol?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethanol is CCn1ccnc1CC(O)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethanol?
The InChIKey is DXUKUXPBJUWEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2OS/c1-2-14-6-5-13-11(14)7-8(15)9-3-4-10(12)16-9/h3-6,8,15H,2,7H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethanol?
1-(5-chlorothiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethanol has a molecular weight of 256.76 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethanol is sourced from PubChem (CID 79744784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).