(3-benzyl-2-benzylsulfanylimidazol-4-yl)methanol

C18H18N2OS — CID 3759278

IUPAC(3-benzyl-2-benzylsulfanylimidazol-4-yl)methanol
SMILESOCc1cnc(SCc2ccccc2)n1Cc1ccccc1
InChIInChI=1S/C18H18N2OS/c21-13-17-11-19-18(22-14-16-9-5-2-6-10-16)20(17)12-15-7-3-1-4-8-15/h1-11,21H,12-14H2
InChIKeyUHPMDGFWHBXXMC-UHFFFAOYSA-N
MW310.42 g/mol
LogP3.72
Rot. Bonds6

About (3-benzyl-2-benzylsulfanylimidazol-4-yl)methanol

(3-benzyl-2-benzylsulfanylimidazol-4-yl)methanol (PubChem CID 3759278) has the molecular formula C18H18N2OS and a molecular weight of 310.42 g/mol. Its IUPAC name is (3-benzyl-2-benzylsulfanylimidazol-4-yl)methanol.

Molecular Properties

Compound Name(3-benzyl-2-benzylsulfanylimidazol-4-yl)methanol
PubChem CID3759278
Molecular FormulaC18H18N2OS
Molecular Weight310.42 g/mol
Exact Mass310.11
IUPAC Name(3-benzyl-2-benzylsulfanylimidazol-4-yl)methanol
SMILESOCc1cnc(SCc2ccccc2)n1Cc1ccccc1
InChIInChI=1S/C18H18N2OS/c21-13-17-11-19-18(22-14-16-9-5-2-6-10-16)20(17)12-15-7-3-1-4-8-15/h1-11,21H,12-14H2
InChIKeyUHPMDGFWHBXXMC-UHFFFAOYSA-N
XLogP3.72
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-benzyl-2-benzylsulfanylimidazol-4-yl)methanol?
The IUPAC name of (3-benzyl-2-benzylsulfanylimidazol-4-yl)methanol (CID 3759278) is (3-benzyl-2-benzylsulfanylimidazol-4-yl)methanol.
What is the SMILES notation for (3-benzyl-2-benzylsulfanylimidazol-4-yl)methanol?
The canonical SMILES for (3-benzyl-2-benzylsulfanylimidazol-4-yl)methanol is OCc1cnc(SCc2ccccc2)n1Cc1ccccc1.
What is the InChIKey of (3-benzyl-2-benzylsulfanylimidazol-4-yl)methanol?
The InChIKey is UHPMDGFWHBXXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2OS/c21-13-17-11-19-18(22-14-16-9-5-2-6-10-16)20(17)12-15-7-3-1-4-8-15/h1-11,21H,12-14H2.
What are the key properties of (3-benzyl-2-benzylsulfanylimidazol-4-yl)methanol?
(3-benzyl-2-benzylsulfanylimidazol-4-yl)methanol has a molecular weight of 310.42 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzyl-2-benzylsulfanylimidazol-4-yl)methanol is sourced from PubChem (CID 3759278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).