(2S,4R,6R)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-6-methoxyoxan-4-ol

C22H24N2O3S — CID 10363361

IUPAC(2S,4R,6R)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-6-methoxyoxan-4-ol
SMILESCO[C@H]1C[C@H](O)C[C@@H](CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)O1
InChIInChI=1S/C22H24N2O3S/c1-26-19-13-17(25)12-18(27-19)14-28-22-23-20(15-8-4-2-5-9-15)21(24-22)16-10-6-3-7-11-16/h2-11,17-19,25H,12-14H2,1H3,(H,23,24)/t17-,18+,19-/m1/s1
InChIKeyZZEABFFKPGYSDC-CEXWTWQISA-N
MW396.51 g/mol
LogP4.35
Rot. Bonds6

About (2S,4R,6R)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-6-methoxyoxan-4-ol

(2S,4R,6R)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-6-methoxyoxan-4-ol (PubChem CID 10363361) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is (2S,4R,6R)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-6-methoxyoxan-4-ol.

Molecular Properties

Compound Name(2S,4R,6R)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-6-methoxyoxan-4-ol
PubChem CID10363361
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC Name(2S,4R,6R)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-6-methoxyoxan-4-ol
SMILESCO[C@H]1C[C@H](O)C[C@@H](CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)O1
InChIInChI=1S/C22H24N2O3S/c1-26-19-13-17(25)12-18(27-19)14-28-22-23-20(15-8-4-2-5-9-15)21(24-22)16-10-6-3-7-11-16/h2-11,17-19,25H,12-14H2,1H3,(H,23,24)/t17-,18+,19-/m1/s1
InChIKeyZZEABFFKPGYSDC-CEXWTWQISA-N
XLogP4.35
TPSA67.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S,4R,6R)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-6-methoxyoxan-4-ol with MolForge

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Related Compounds

2-([1,3]Dioxolan-2-ylmethylsulfanyl)-4,5-diphenyl-1H-imidazole
CID 10020026
2-(2-[1,3]Dioxan-2-yl-ethylsulfanyl)-4,5-diphenyl-1H-imidazole
CID 10021827
2-(2,2-Diethoxy-ethylsulfanyl)-4,5-diphenyl-1H-imidazole
CID 10021960
6-(4,5-Diphenyl-1H-imidazol-2-ylsulfanyl)-3,5-dihydroxy-3-methyl-hexanoic acid ethyl ester
CID 10071955
2-(3,3-diethoxypropylsulfanyl)-4,5-diphenyl-1H-imidazole
CID 10091321
2-(2,2-Dimethoxy-ethylsulfanyl)-4,5-diphenyl-1H-imidazole
CID 10315214
2-(3-[1,3]Dioxan-2-yl-propylsulfanyl)-4,5-diphenyl-1H-imidazole
CID 10317656
4,5-Diphenyl-2-(tetrahydro-pyran-2-ylmethylsulfanyl)-1H-imidazole
CID 10337963
2-([1,3]Dioxan-2-ylmethylsulfanyl)-4,5-diphenyl-1H-imidazole
CID 10383379
6-(4,5-Diphenyl-1H-imidazol-2-ylsulfanylmethyl)-4-hydroxy-4-methyl-tetrahydro-pyran-2-one
CID 44358140
(4S)-6-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-4-hydroxy-4-methyloxan-2-one
CID 44358387
2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butanoic acid
CID 2772440

Frequently Asked Questions

What is the IUPAC name of (2S,4R,6R)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-6-methoxyoxan-4-ol?
The IUPAC name of (2S,4R,6R)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-6-methoxyoxan-4-ol (CID 10363361) is (2S,4R,6R)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-6-methoxyoxan-4-ol.
What is the SMILES notation for (2S,4R,6R)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-6-methoxyoxan-4-ol?
The canonical SMILES for (2S,4R,6R)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-6-methoxyoxan-4-ol is CO[C@H]1C[C@H](O)C[C@@H](CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)O1.
What is the InChIKey of (2S,4R,6R)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-6-methoxyoxan-4-ol?
The InChIKey is ZZEABFFKPGYSDC-CEXWTWQISA-N. The full InChI is InChI=1S/C22H24N2O3S/c1-26-19-13-17(25)12-18(27-19)14-28-22-23-20(15-8-4-2-5-9-15)21(24-22)16-10-6-3-7-11-16/h2-11,17-19,25H,12-14H2,1H3,(H,23,24)/t17-,18+,19-/m1/s1.
What are the key properties of (2S,4R,6R)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-6-methoxyoxan-4-ol?
(2S,4R,6R)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-6-methoxyoxan-4-ol has a molecular weight of 396.51 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,6R)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-6-methoxyoxan-4-ol is sourced from PubChem (CID 10363361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).