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

C23H26N2O3S — CID 10070162

IUPAC(2R,4S,6S)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-6-methoxy-4-methyloxan-4-ol
SMILESCO[C@@H]1C[C@@](C)(O)C[C@H](CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)O1
InChIInChI=1S/C23H26N2O3S/c1-23(26)13-18(28-19(14-23)27-2)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
InChIKeyJNJRDSMXUNXNRZ-MSYCTHLASA-N
MW410.54 g/mol
LogP4.74
Rot. Bonds6

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

(2R,4S,6S)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-6-methoxy-4-methyloxan-4-ol (PubChem CID 10070162) has the molecular formula C23H26N2O3S and a molecular weight of 410.54 g/mol. Its IUPAC name is (2R,4S,6S)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-6-methoxy-4-methyloxan-4-ol.

Molecular Properties

Compound Name(2R,4S,6S)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-6-methoxy-4-methyloxan-4-ol
PubChem CID10070162
Molecular FormulaC23H26N2O3S
Molecular Weight410.54 g/mol
Exact Mass410.17
IUPAC Name(2R,4S,6S)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-6-methoxy-4-methyloxan-4-ol
SMILESCO[C@@H]1C[C@@](C)(O)C[C@H](CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)O1
InChIInChI=1S/C23H26N2O3S/c1-23(26)13-18(28-19(14-23)27-2)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
InChIKeyJNJRDSMXUNXNRZ-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

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,4S,6S)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-6-methoxy-4-methyloxan-4-ol?
The IUPAC name of (2R,4S,6S)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-6-methoxy-4-methyloxan-4-ol (CID 10070162) is (2R,4S,6S)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-6-methoxy-4-methyloxan-4-ol.
What is the SMILES notation for (2R,4S,6S)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-6-methoxy-4-methyloxan-4-ol?
The canonical SMILES for (2R,4S,6S)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-6-methoxy-4-methyloxan-4-ol is CO[C@@H]1C[C@@](C)(O)C[C@H](CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)O1.
What is the InChIKey of (2R,4S,6S)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-6-methoxy-4-methyloxan-4-ol?
The InChIKey is JNJRDSMXUNXNRZ-MSYCTHLASA-N. The full InChI is InChI=1S/C23H26N2O3S/c1-23(26)13-18(28-19(14-23)27-2)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 (2R,4S,6S)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-6-methoxy-4-methyloxan-4-ol?
(2R,4S,6S)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-6-methoxy-4-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 (2R,4S,6S)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-6-methoxy-4-methyloxan-4-ol is sourced from PubChem (CID 10070162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).