[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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[(4-chlorophenyl)methyl]-2-[(3-methylphenyl)methylsulfanyl]imidazol-4-yl]methanol
CID 22576484
[3-[(3-methylphenyl)methyl]-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazol-4-yl]methanol
CID 42795310
[3-(3-methoxypropyl)-2-[(3-methylphenyl)methylsulfanyl]imidazol-4-yl]methanol
CID 42795516
[2-[(2,5-dimethylphenyl)methylsulfanyl]-3-[(4-fluorophenyl)methyl]imidazol-4-yl]methanol
CID 18589634
[2-[(3-methoxyphenyl)methylsulfanyl]-3-(pyridin-4-ylmethyl)imidazol-4-yl]methanol
CID 3332733
methyl 3-[[1-benzyl-5-(hydroxymethyl)imidazol-2-yl]sulfanylmethyl]benzoate
CID 42795475
2-[5-(hydroxymethyl)-1-[(3-methylphenyl)methyl]imidazol-2-yl]sulfanyl-1-pyrrolidin-1-ylethanone
CID 7219440
[2-(3-methylbutylsulfanyl)-3-[(4-methylphenyl)methyl]imidazol-4-yl]methanol
CID 18589599
[3-benzyl-2-(2-phenylethylsulfanyl)imidazol-4-yl]methanol
CID 22576278
[2-[(4-chlorophenyl)methylsulfanyl]-3-[(4-methoxyphenyl)methyl]imidazol-4-yl]methanol
CID 22576438
[3-benzyl-2-[(2-fluorophenyl)methylsulfanyl]imidazol-4-yl]methanol
CID 22576301
[2-[(4-fluorophenyl)methylsulfanyl]-3-(pyridin-4-ylmethyl)imidazol-4-yl]methanol
CID 42797026

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).