[3-[(4-methoxyphenyl)methyl]-2-methylsulfanylimidazol-4-yl]methanol

C13H16N2O2S — CID 11021764

IUPAC[3-[(4-methoxyphenyl)methyl]-2-methylsulfanylimidazol-4-yl]methanol
SMILESCOc1ccc(Cn2c(CO)cnc2SC)cc1
InChIInChI=1S/C13H16N2O2S/c1-17-12-5-3-10(4-6-12)8-15-11(9-16)7-14-13(15)18-2/h3-7,16H,8-9H2,1-2H3
InChIKeyXMJUGOKMFRCUJV-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.15
Rot. Bonds5

About [3-[(4-methoxyphenyl)methyl]-2-methylsulfanylimidazol-4-yl]methanol

[3-[(4-methoxyphenyl)methyl]-2-methylsulfanylimidazol-4-yl]methanol (PubChem CID 11021764) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is [3-[(4-methoxyphenyl)methyl]-2-methylsulfanylimidazol-4-yl]methanol.

Molecular Properties

Compound Name[3-[(4-methoxyphenyl)methyl]-2-methylsulfanylimidazol-4-yl]methanol
PubChem CID11021764
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name[3-[(4-methoxyphenyl)methyl]-2-methylsulfanylimidazol-4-yl]methanol
SMILESCOc1ccc(Cn2c(CO)cnc2SC)cc1
InChIInChI=1S/C13H16N2O2S/c1-17-12-5-3-10(4-6-12)8-15-11(9-16)7-14-13(15)18-2/h3-7,16H,8-9H2,1-2H3
InChIKeyXMJUGOKMFRCUJV-UHFFFAOYSA-N
XLogP2.15
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[(4-methoxyphenyl)methyl]-2-methylsulfanylimidazol-4-yl]methanol?
The IUPAC name of [3-[(4-methoxyphenyl)methyl]-2-methylsulfanylimidazol-4-yl]methanol (CID 11021764) is [3-[(4-methoxyphenyl)methyl]-2-methylsulfanylimidazol-4-yl]methanol.
What is the SMILES notation for [3-[(4-methoxyphenyl)methyl]-2-methylsulfanylimidazol-4-yl]methanol?
The canonical SMILES for [3-[(4-methoxyphenyl)methyl]-2-methylsulfanylimidazol-4-yl]methanol is COc1ccc(Cn2c(CO)cnc2SC)cc1.
What is the InChIKey of [3-[(4-methoxyphenyl)methyl]-2-methylsulfanylimidazol-4-yl]methanol?
The InChIKey is XMJUGOKMFRCUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-17-12-5-3-10(4-6-12)8-15-11(9-16)7-14-13(15)18-2/h3-7,16H,8-9H2,1-2H3.
What are the key properties of [3-[(4-methoxyphenyl)methyl]-2-methylsulfanylimidazol-4-yl]methanol?
[3-[(4-methoxyphenyl)methyl]-2-methylsulfanylimidazol-4-yl]methanol has a molecular weight of 264.35 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-methoxyphenyl)methyl]-2-methylsulfanylimidazol-4-yl]methanol is sourced from PubChem (CID 11021764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).