(3R)-3-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]oxolan-2-one

C15H16N2O2S — CID 41289604

IUPAC(3R)-3-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]oxolan-2-one
SMILESCc1[nH]c(S[C@@H]2CCOC2=O)nc1Cc1ccccc1
InChIInChI=1S/C15H16N2O2S/c1-10-12(9-11-5-3-2-4-6-11)17-15(16-10)20-13-7-8-19-14(13)18/h2-6,13H,7-9H2,1H3,(H,16,17)/t13-/m1/s1
InChIKeyBQGCXGDQHQVQDI-CYBMUJFWSA-N
MW288.37 g/mol
LogP2.72
Rot. Bonds4

About (3R)-3-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]oxolan-2-one

(3R)-3-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]oxolan-2-one (PubChem CID 41289604) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is (3R)-3-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]oxolan-2-one.

Molecular Properties

Compound Name(3R)-3-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]oxolan-2-one
PubChem CID41289604
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name(3R)-3-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]oxolan-2-one
SMILESCc1[nH]c(S[C@@H]2CCOC2=O)nc1Cc1ccccc1
InChIInChI=1S/C15H16N2O2S/c1-10-12(9-11-5-3-2-4-6-11)17-15(16-10)20-13-7-8-19-14(13)18/h2-6,13H,7-9H2,1H3,(H,16,17)/t13-/m1/s1
InChIKeyBQGCXGDQHQVQDI-CYBMUJFWSA-N
XLogP2.72
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]oxolan-2-one?
The IUPAC name of (3R)-3-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]oxolan-2-one (CID 41289604) is (3R)-3-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]oxolan-2-one.
What is the SMILES notation for (3R)-3-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]oxolan-2-one?
The canonical SMILES for (3R)-3-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]oxolan-2-one is Cc1[nH]c(S[C@@H]2CCOC2=O)nc1Cc1ccccc1.
What is the InChIKey of (3R)-3-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]oxolan-2-one?
The InChIKey is BQGCXGDQHQVQDI-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-10-12(9-11-5-3-2-4-6-11)17-15(16-10)20-13-7-8-19-14(13)18/h2-6,13H,7-9H2,1H3,(H,16,17)/t13-/m1/s1.
What are the key properties of (3R)-3-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]oxolan-2-one?
(3R)-3-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]oxolan-2-one has a molecular weight of 288.37 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]oxolan-2-one is sourced from PubChem (CID 41289604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).