[3-[(4-methoxyphenyl)methyl]-2-[(3-methylphenyl)methylsulfanyl]imidazol-4-yl]methanol

C20H22N2O2S — CID 7218854

IUPAC[3-[(4-methoxyphenyl)methyl]-2-[(3-methylphenyl)methylsulfanyl]imidazol-4-yl]methanol
SMILESCOc1ccc(Cn2c(CO)cnc2SCc2cccc(C)c2)cc1
InChIInChI=1S/C20H22N2O2S/c1-15-4-3-5-17(10-15)14-25-20-21-11-18(13-23)22(20)12-16-6-8-19(24-2)9-7-16/h3-11,23H,12-14H2,1-2H3
InChIKeyRRQICSXIPJYOLT-UHFFFAOYSA-N
MW354.48 g/mol
LogP4.03
Rot. Bonds7

About [3-[(4-methoxyphenyl)methyl]-2-[(3-methylphenyl)methylsulfanyl]imidazol-4-yl]methanol

[3-[(4-methoxyphenyl)methyl]-2-[(3-methylphenyl)methylsulfanyl]imidazol-4-yl]methanol (PubChem CID 7218854) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is [3-[(4-methoxyphenyl)methyl]-2-[(3-methylphenyl)methylsulfanyl]imidazol-4-yl]methanol.

Molecular Properties

Compound Name[3-[(4-methoxyphenyl)methyl]-2-[(3-methylphenyl)methylsulfanyl]imidazol-4-yl]methanol
PubChem CID7218854
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC Name[3-[(4-methoxyphenyl)methyl]-2-[(3-methylphenyl)methylsulfanyl]imidazol-4-yl]methanol
SMILESCOc1ccc(Cn2c(CO)cnc2SCc2cccc(C)c2)cc1
InChIInChI=1S/C20H22N2O2S/c1-15-4-3-5-17(10-15)14-25-20-21-11-18(13-23)22(20)12-16-6-8-19(24-2)9-7-16/h3-11,23H,12-14H2,1-2H3
InChIKeyRRQICSXIPJYOLT-UHFFFAOYSA-N
XLogP4.03
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 54.03
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-[(3-methylphenyl)methylsulfanyl]imidazol-4-yl]methanol?
The IUPAC name of [3-[(4-methoxyphenyl)methyl]-2-[(3-methylphenyl)methylsulfanyl]imidazol-4-yl]methanol (CID 7218854) is [3-[(4-methoxyphenyl)methyl]-2-[(3-methylphenyl)methylsulfanyl]imidazol-4-yl]methanol.
What is the SMILES notation for [3-[(4-methoxyphenyl)methyl]-2-[(3-methylphenyl)methylsulfanyl]imidazol-4-yl]methanol?
The canonical SMILES for [3-[(4-methoxyphenyl)methyl]-2-[(3-methylphenyl)methylsulfanyl]imidazol-4-yl]methanol is COc1ccc(Cn2c(CO)cnc2SCc2cccc(C)c2)cc1.
What is the InChIKey of [3-[(4-methoxyphenyl)methyl]-2-[(3-methylphenyl)methylsulfanyl]imidazol-4-yl]methanol?
The InChIKey is RRQICSXIPJYOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-15-4-3-5-17(10-15)14-25-20-21-11-18(13-23)22(20)12-16-6-8-19(24-2)9-7-16/h3-11,23H,12-14H2,1-2H3.
What are the key properties of [3-[(4-methoxyphenyl)methyl]-2-[(3-methylphenyl)methylsulfanyl]imidazol-4-yl]methanol?
[3-[(4-methoxyphenyl)methyl]-2-[(3-methylphenyl)methylsulfanyl]imidazol-4-yl]methanol has a molecular weight of 354.48 g/mol, XLogP of 4.03, 7 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-[(3-methylphenyl)methylsulfanyl]imidazol-4-yl]methanol is sourced from PubChem (CID 7218854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).