5-[1-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]imidazol-2-yl]-2-methoxyphenol

C18H20N2O3S — CID 70723131

IUPAC5-[1-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]imidazol-2-yl]-2-methoxyphenol
SMILESCOc1ccc(-c2nccn2CC(CO)Cc2ccsc2)cc1O
InChIInChI=1S/C18H20N2O3S/c1-23-17-3-2-15(9-16(17)22)18-19-5-6-20(18)10-14(11-21)8-13-4-7-24-12-13/h2-7,9,12,14,21-22H,8,10-11H2,1H3
InChIKeyKIJROUXZBNHWMT-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.18
Rot. Bonds7

About 5-[1-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]imidazol-2-yl]-2-methoxyphenol

5-[1-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]imidazol-2-yl]-2-methoxyphenol (PubChem CID 70723131) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 5-[1-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]imidazol-2-yl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[1-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]imidazol-2-yl]-2-methoxyphenol
PubChem CID70723131
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name5-[1-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]imidazol-2-yl]-2-methoxyphenol
SMILESCOc1ccc(-c2nccn2CC(CO)Cc2ccsc2)cc1O
InChIInChI=1S/C18H20N2O3S/c1-23-17-3-2-15(9-16(17)22)18-19-5-6-20(18)10-14(11-21)8-13-4-7-24-12-13/h2-7,9,12,14,21-22H,8,10-11H2,1H3
InChIKeyKIJROUXZBNHWMT-UHFFFAOYSA-N
XLogP3.18
TPSA67.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]imidazol-2-yl]-2-methoxyphenol?
The IUPAC name of 5-[1-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]imidazol-2-yl]-2-methoxyphenol (CID 70723131) is 5-[1-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]imidazol-2-yl]-2-methoxyphenol.
What is the SMILES notation for 5-[1-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]imidazol-2-yl]-2-methoxyphenol?
The canonical SMILES for 5-[1-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]imidazol-2-yl]-2-methoxyphenol is COc1ccc(-c2nccn2CC(CO)Cc2ccsc2)cc1O.
What is the InChIKey of 5-[1-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]imidazol-2-yl]-2-methoxyphenol?
The InChIKey is KIJROUXZBNHWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-23-17-3-2-15(9-16(17)22)18-19-5-6-20(18)10-14(11-21)8-13-4-7-24-12-13/h2-7,9,12,14,21-22H,8,10-11H2,1H3.
What are the key properties of 5-[1-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]imidazol-2-yl]-2-methoxyphenol?
5-[1-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]imidazol-2-yl]-2-methoxyphenol has a molecular weight of 344.44 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]imidazol-2-yl]-2-methoxyphenol is sourced from PubChem (CID 70723131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).