1-(2,5-dichlorothiophen-3-yl)-2-(1H-imidazol-2-yl)ethanol

C9H8Cl2N2OS — CID 107964204

IUPAC1-(2,5-dichlorothiophen-3-yl)-2-(1H-imidazol-2-yl)ethanol
SMILESOC(Cc1ncc[nH]1)c1cc(Cl)sc1Cl
InChIInChI=1S/C9H8Cl2N2OS/c10-7-3-5(9(11)15-7)6(14)4-8-12-1-2-13-8/h1-3,6,14H,4H2,(H,12,13)
InChIKeyQRZGNVILXPMDKD-UHFFFAOYSA-N
MW263.15 g/mol
LogP3.05
Rot. Bonds3

About 1-(2,5-dichlorothiophen-3-yl)-2-(1H-imidazol-2-yl)ethanol

1-(2,5-dichlorothiophen-3-yl)-2-(1H-imidazol-2-yl)ethanol (PubChem CID 107964204) has the molecular formula C9H8Cl2N2OS and a molecular weight of 263.15 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-2-(1H-imidazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-2-(1H-imidazol-2-yl)ethanol
PubChem CID107964204
Molecular FormulaC9H8Cl2N2OS
Molecular Weight263.15 g/mol
Exact Mass261.97
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-2-(1H-imidazol-2-yl)ethanol
SMILESOC(Cc1ncc[nH]1)c1cc(Cl)sc1Cl
InChIInChI=1S/C9H8Cl2N2OS/c10-7-3-5(9(11)15-7)6(14)4-8-12-1-2-13-8/h1-3,6,14H,4H2,(H,12,13)
InChIKeyQRZGNVILXPMDKD-UHFFFAOYSA-N
XLogP3.05
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.15
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2-(1H-imidazol-2-yl)ethanol?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2-(1H-imidazol-2-yl)ethanol (CID 107964204) is 1-(2,5-dichlorothiophen-3-yl)-2-(1H-imidazol-2-yl)ethanol.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-2-(1H-imidazol-2-yl)ethanol?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-2-(1H-imidazol-2-yl)ethanol is OC(Cc1ncc[nH]1)c1cc(Cl)sc1Cl.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-2-(1H-imidazol-2-yl)ethanol?
The InChIKey is QRZGNVILXPMDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2N2OS/c10-7-3-5(9(11)15-7)6(14)4-8-12-1-2-13-8/h1-3,6,14H,4H2,(H,12,13).
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-2-(1H-imidazol-2-yl)ethanol?
1-(2,5-dichlorothiophen-3-yl)-2-(1H-imidazol-2-yl)ethanol has a molecular weight of 263.15 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorothiophen-3-yl)-2-(1H-imidazol-2-yl)ethanol is sourced from PubChem (CID 107964204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).