[1-benzyl-2-[(1S)-1-phenylethyl]sulfanylimidazol-4-yl]methanol

C19H20N2OS — CID 7621670

IUPAC[1-benzyl-2-[(1S)-1-phenylethyl]sulfanylimidazol-4-yl]methanol
SMILESC[C@H](Sc1nc(CO)cn1Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H20N2OS/c1-15(17-10-6-3-7-11-17)23-19-20-18(14-22)13-21(19)12-16-8-4-2-5-9-16/h2-11,13,15,22H,12,14H2,1H3/t15-/m0/s1
InChIKeyQJKHFMASDYLWGM-HNNXBMFYSA-N
MW324.45 g/mol
LogP4.28
Rot. Bonds6

About [1-benzyl-2-[(1S)-1-phenylethyl]sulfanylimidazol-4-yl]methanol

[1-benzyl-2-[(1S)-1-phenylethyl]sulfanylimidazol-4-yl]methanol (PubChem CID 7621670) has the molecular formula C19H20N2OS and a molecular weight of 324.45 g/mol. Its IUPAC name is [1-benzyl-2-[(1S)-1-phenylethyl]sulfanylimidazol-4-yl]methanol.

Molecular Properties

Compound Name[1-benzyl-2-[(1S)-1-phenylethyl]sulfanylimidazol-4-yl]methanol
PubChem CID7621670
Molecular FormulaC19H20N2OS
Molecular Weight324.45 g/mol
Exact Mass324.13
IUPAC Name[1-benzyl-2-[(1S)-1-phenylethyl]sulfanylimidazol-4-yl]methanol
SMILESC[C@H](Sc1nc(CO)cn1Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H20N2OS/c1-15(17-10-6-3-7-11-17)23-19-20-18(14-22)13-21(19)12-16-8-4-2-5-9-16/h2-11,13,15,22H,12,14H2,1H3/t15-/m0/s1
InChIKeyQJKHFMASDYLWGM-HNNXBMFYSA-N
XLogP4.28
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-benzyl-4-(hydroxymethyl)imidazol-2-yl]sulfanyl-N-phenylacetamide
CID 7621498
1-benzyl-2-[(1R)-1-phenylethyl]sulfanylbenzimidazole
CID 39115837
2-[1-benzyl-4-(hydroxymethyl)imidazol-2-yl]sulfanyl-N-(2-methylphenyl)acetamide
CID 7621499
4-benzyl-3-methyl-5-(1-phenylethylsulfanyl)-1,2,4-triazole
CID 78764056
(2S)-2-[1-[(4-chlorophenyl)methyl]-4-(hydroxymethyl)imidazol-2-yl]sulfanylbutanoate
CID 7622210
2-[4-(hydroxymethyl)-1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetic acid
CID 7621995
2-[4-(hydroxymethyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanyl-N-methyl-N-phenylacetamide
CID 7621384
(2S)-2-[4-(hydroxymethyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylbutanoate
CID 7621451
(2S)-2-[4-(hydroxymethyl)-1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanylbutanoate
CID 7622063
4-[4-benzyl-5-[(1R)-1-phenylethyl]sulfanyl-1,2,4-triazol-3-yl]pyridine
CID 7988668
[1-[(4-methylphenyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]imidazol-4-yl]methanol
CID 43996535
2-[4-(hydroxymethyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanyl-1-piperidin-1-ylethanone
CID 7621266

Frequently Asked Questions

What is the IUPAC name of [1-benzyl-2-[(1S)-1-phenylethyl]sulfanylimidazol-4-yl]methanol?
The IUPAC name of [1-benzyl-2-[(1S)-1-phenylethyl]sulfanylimidazol-4-yl]methanol (CID 7621670) is [1-benzyl-2-[(1S)-1-phenylethyl]sulfanylimidazol-4-yl]methanol.
What is the SMILES notation for [1-benzyl-2-[(1S)-1-phenylethyl]sulfanylimidazol-4-yl]methanol?
The canonical SMILES for [1-benzyl-2-[(1S)-1-phenylethyl]sulfanylimidazol-4-yl]methanol is C[C@H](Sc1nc(CO)cn1Cc1ccccc1)c1ccccc1.
What is the InChIKey of [1-benzyl-2-[(1S)-1-phenylethyl]sulfanylimidazol-4-yl]methanol?
The InChIKey is QJKHFMASDYLWGM-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H20N2OS/c1-15(17-10-6-3-7-11-17)23-19-20-18(14-22)13-21(19)12-16-8-4-2-5-9-16/h2-11,13,15,22H,12,14H2,1H3/t15-/m0/s1.
What are the key properties of [1-benzyl-2-[(1S)-1-phenylethyl]sulfanylimidazol-4-yl]methanol?
[1-benzyl-2-[(1S)-1-phenylethyl]sulfanylimidazol-4-yl]methanol has a molecular weight of 324.45 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzyl-2-[(1S)-1-phenylethyl]sulfanylimidazol-4-yl]methanol is sourced from PubChem (CID 7621670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).