1-(2-ethylthiophen-3-yl)-2-imidazol-1-ylethanol

C11H14N2OS — CID 70550657

IUPAC1-(2-ethylthiophen-3-yl)-2-imidazol-1-ylethanol
SMILESCCc1sccc1C(O)Cn1ccnc1
InChIInChI=1S/C11H14N2OS/c1-2-11-9(3-6-15-11)10(14)7-13-5-4-12-8-13/h3-6,8,10,14H,2,7H2,1H3
InChIKeyPPXSRKHRKPRRCR-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.24
Rot. Bonds4

About 1-(2-ethylthiophen-3-yl)-2-imidazol-1-ylethanol

1-(2-ethylthiophen-3-yl)-2-imidazol-1-ylethanol (PubChem CID 70550657) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 1-(2-ethylthiophen-3-yl)-2-imidazol-1-ylethanol.

Molecular Properties

Compound Name1-(2-ethylthiophen-3-yl)-2-imidazol-1-ylethanol
PubChem CID70550657
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name1-(2-ethylthiophen-3-yl)-2-imidazol-1-ylethanol
SMILESCCc1sccc1C(O)Cn1ccnc1
InChIInChI=1S/C11H14N2OS/c1-2-11-9(3-6-15-11)10(14)7-13-5-4-12-8-13/h3-6,8,10,14H,2,7H2,1H3
InChIKeyPPXSRKHRKPRRCR-UHFFFAOYSA-N
XLogP2.24
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylthiophen-3-yl)-2-imidazol-1-ylethanol?
The IUPAC name of 1-(2-ethylthiophen-3-yl)-2-imidazol-1-ylethanol (CID 70550657) is 1-(2-ethylthiophen-3-yl)-2-imidazol-1-ylethanol.
What is the SMILES notation for 1-(2-ethylthiophen-3-yl)-2-imidazol-1-ylethanol?
The canonical SMILES for 1-(2-ethylthiophen-3-yl)-2-imidazol-1-ylethanol is CCc1sccc1C(O)Cn1ccnc1.
What is the InChIKey of 1-(2-ethylthiophen-3-yl)-2-imidazol-1-ylethanol?
The InChIKey is PPXSRKHRKPRRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-2-11-9(3-6-15-11)10(14)7-13-5-4-12-8-13/h3-6,8,10,14H,2,7H2,1H3.
What are the key properties of 1-(2-ethylthiophen-3-yl)-2-imidazol-1-ylethanol?
1-(2-ethylthiophen-3-yl)-2-imidazol-1-ylethanol has a molecular weight of 222.31 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylthiophen-3-yl)-2-imidazol-1-ylethanol is sourced from PubChem (CID 70550657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).