(6R)-6-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]piperidin-2-one

C21H21N3OS — CID 54385379

IUPAC(6R)-6-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]piperidin-2-one
SMILESO=C1CCC[C@H](CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)N1
InChIInChI=1S/C21H21N3OS/c25-18-13-7-12-17(22-18)14-26-21-23-19(15-8-3-1-4-9-15)20(24-21)16-10-5-2-6-11-16/h1-6,8-11,17H,7,12-14H2,(H,22,25)(H,23,24)/t17-/m1/s1
InChIKeyVCVZGOIXEBRSDB-QGZVFWFLSA-N
MW363.49 g/mol
LogP4.50
Rot. Bonds5

About (6R)-6-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]piperidin-2-one

(6R)-6-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]piperidin-2-one (PubChem CID 54385379) has the molecular formula C21H21N3OS and a molecular weight of 363.49 g/mol. Its IUPAC name is (6R)-6-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]piperidin-2-one.

Molecular Properties

Compound Name(6R)-6-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]piperidin-2-one
PubChem CID54385379
Molecular FormulaC21H21N3OS
Molecular Weight363.49 g/mol
Exact Mass363.14
IUPAC Name(6R)-6-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]piperidin-2-one
SMILESO=C1CCC[C@H](CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)N1
InChIInChI=1S/C21H21N3OS/c25-18-13-7-12-17(22-18)14-26-21-23-19(15-8-3-1-4-9-15)20(24-21)16-10-5-2-6-11-16/h1-6,8-11,17H,7,12-14H2,(H,22,25)(H,23,24)/t17-/m1/s1
InChIKeyVCVZGOIXEBRSDB-QGZVFWFLSA-N
XLogP4.50
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]piperidin-2-one?
The IUPAC name of (6R)-6-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]piperidin-2-one (CID 54385379) is (6R)-6-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]piperidin-2-one.
What is the SMILES notation for (6R)-6-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]piperidin-2-one?
The canonical SMILES for (6R)-6-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]piperidin-2-one is O=C1CCC[C@H](CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)N1.
What is the InChIKey of (6R)-6-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]piperidin-2-one?
The InChIKey is VCVZGOIXEBRSDB-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H21N3OS/c25-18-13-7-12-17(22-18)14-26-21-23-19(15-8-3-1-4-9-15)20(24-21)16-10-5-2-6-11-16/h1-6,8-11,17H,7,12-14H2,(H,22,25)(H,23,24)/t17-/m1/s1.
What are the key properties of (6R)-6-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]piperidin-2-one?
(6R)-6-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]piperidin-2-one has a molecular weight of 363.49 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]piperidin-2-one is sourced from PubChem (CID 54385379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).