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

C20H22N2OS — CID 22576195

IUPAC[3-[(4-methylphenyl)methyl]-2-[(3-methylphenyl)methylsulfanyl]imidazol-4-yl]methanol
SMILESCc1ccc(Cn2c(CO)cnc2SCc2cccc(C)c2)cc1
InChIInChI=1S/C20H22N2OS/c1-15-6-8-17(9-7-15)12-22-19(13-23)11-21-20(22)24-14-18-5-3-4-16(2)10-18/h3-11,23H,12-14H2,1-2H3
InChIKeyKLGRHWRHKUPXSR-UHFFFAOYSA-N
MW338.48 g/mol
LogP4.33
Rot. Bonds6

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

[3-[(4-methylphenyl)methyl]-2-[(3-methylphenyl)methylsulfanyl]imidazol-4-yl]methanol (PubChem CID 22576195) has the molecular formula C20H22N2OS and a molecular weight of 338.48 g/mol. Its IUPAC name is [3-[(4-methylphenyl)methyl]-2-[(3-methylphenyl)methylsulfanyl]imidazol-4-yl]methanol.

Molecular Properties

Compound Name[3-[(4-methylphenyl)methyl]-2-[(3-methylphenyl)methylsulfanyl]imidazol-4-yl]methanol
PubChem CID22576195
Molecular FormulaC20H22N2OS
Molecular Weight338.48 g/mol
Exact Mass338.15
IUPAC Name[3-[(4-methylphenyl)methyl]-2-[(3-methylphenyl)methylsulfanyl]imidazol-4-yl]methanol
SMILESCc1ccc(Cn2c(CO)cnc2SCc2cccc(C)c2)cc1
InChIInChI=1S/C20H22N2OS/c1-15-6-8-17(9-7-15)12-22-19(13-23)11-21-20(22)24-14-18-5-3-4-16(2)10-18/h3-11,23H,12-14H2,1-2H3
InChIKeyKLGRHWRHKUPXSR-UHFFFAOYSA-N
XLogP4.33
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[(4-methylphenyl)methyl]-2-[(3-methylphenyl)methylsulfanyl]imidazol-4-yl]methanol?
The IUPAC name of [3-[(4-methylphenyl)methyl]-2-[(3-methylphenyl)methylsulfanyl]imidazol-4-yl]methanol (CID 22576195) is [3-[(4-methylphenyl)methyl]-2-[(3-methylphenyl)methylsulfanyl]imidazol-4-yl]methanol.
What is the SMILES notation for [3-[(4-methylphenyl)methyl]-2-[(3-methylphenyl)methylsulfanyl]imidazol-4-yl]methanol?
The canonical SMILES for [3-[(4-methylphenyl)methyl]-2-[(3-methylphenyl)methylsulfanyl]imidazol-4-yl]methanol is Cc1ccc(Cn2c(CO)cnc2SCc2cccc(C)c2)cc1.
What is the InChIKey of [3-[(4-methylphenyl)methyl]-2-[(3-methylphenyl)methylsulfanyl]imidazol-4-yl]methanol?
The InChIKey is KLGRHWRHKUPXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2OS/c1-15-6-8-17(9-7-15)12-22-19(13-23)11-21-20(22)24-14-18-5-3-4-16(2)10-18/h3-11,23H,12-14H2,1-2H3.
What are the key properties of [3-[(4-methylphenyl)methyl]-2-[(3-methylphenyl)methylsulfanyl]imidazol-4-yl]methanol?
[3-[(4-methylphenyl)methyl]-2-[(3-methylphenyl)methylsulfanyl]imidazol-4-yl]methanol has a molecular weight of 338.48 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-methylphenyl)methyl]-2-[(3-methylphenyl)methylsulfanyl]imidazol-4-yl]methanol is sourced from PubChem (CID 22576195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).