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

C23H26N2O3S — CID 10001611

IUPAC(2S,4R,6S)-6-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-2-methoxy-2-methyloxan-4-ol
SMILESCO[C@]1(C)C[C@H](O)C[C@@H](CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)O1
InChIInChI=1S/C23H26N2O3S/c1-23(27-2)14-18(26)13-19(28-23)15-29-22-24-20(16-9-5-3-6-10-16)21(25-22)17-11-7-4-8-12-17/h3-12,18-19,26H,13-15H2,1-2H3,(H,24,25)/t18-,19+,23+/m1/s1
InChIKeyBRJDYUXCQJFARR-MSYCTHLASA-N
MW410.54 g/mol
LogP4.74
Rot. Bonds6

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

(2S,4R,6S)-6-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-2-methoxy-2-methyloxan-4-ol (PubChem CID 10001611) has the molecular formula C23H26N2O3S and a molecular weight of 410.54 g/mol. Its IUPAC name is (2S,4R,6S)-6-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-2-methoxy-2-methyloxan-4-ol.

Molecular Properties

Compound Name(2S,4R,6S)-6-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-2-methoxy-2-methyloxan-4-ol
PubChem CID10001611
Molecular FormulaC23H26N2O3S
Molecular Weight410.54 g/mol
Exact Mass410.17
IUPAC Name(2S,4R,6S)-6-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-2-methoxy-2-methyloxan-4-ol
SMILESCO[C@]1(C)C[C@H](O)C[C@@H](CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)O1
InChIInChI=1S/C23H26N2O3S/c1-23(27-2)14-18(26)13-19(28-23)15-29-22-24-20(16-9-5-3-6-10-16)21(25-22)17-11-7-4-8-12-17/h3-12,18-19,26H,13-15H2,1-2H3,(H,24,25)/t18-,19+,23+/m1/s1
InChIKeyBRJDYUXCQJFARR-MSYCTHLASA-N
XLogP4.74
TPSA67.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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
cyclohexyl [5-(4,5-diphenyl-1H-imidazol-2-ylthio)pentyl]heptylcarbamate
CID 10076535
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-(4,5-Diphenyl-1H-imidazol-2-ylsulfanylmethyl)-6-methoxy-tetrahydro-pyran-4-ol
CID 10363361
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

Frequently Asked Questions

What is the IUPAC name of (2S,4R,6S)-6-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-2-methoxy-2-methyloxan-4-ol?
The IUPAC name of (2S,4R,6S)-6-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-2-methoxy-2-methyloxan-4-ol (CID 10001611) is (2S,4R,6S)-6-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-2-methoxy-2-methyloxan-4-ol.
What is the SMILES notation for (2S,4R,6S)-6-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-2-methoxy-2-methyloxan-4-ol?
The canonical SMILES for (2S,4R,6S)-6-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-2-methoxy-2-methyloxan-4-ol is CO[C@]1(C)C[C@H](O)C[C@@H](CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)O1.
What is the InChIKey of (2S,4R,6S)-6-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-2-methoxy-2-methyloxan-4-ol?
The InChIKey is BRJDYUXCQJFARR-MSYCTHLASA-N. The full InChI is InChI=1S/C23H26N2O3S/c1-23(27-2)14-18(26)13-19(28-23)15-29-22-24-20(16-9-5-3-6-10-16)21(25-22)17-11-7-4-8-12-17/h3-12,18-19,26H,13-15H2,1-2H3,(H,24,25)/t18-,19+,23+/m1/s1.
What are the key properties of (2S,4R,6S)-6-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-2-methoxy-2-methyloxan-4-ol?
(2S,4R,6S)-6-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-2-methoxy-2-methyloxan-4-ol has a molecular weight of 410.54 g/mol, XLogP of 4.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,6S)-6-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-2-methoxy-2-methyloxan-4-ol is sourced from PubChem (CID 10001611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).