2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide

C17H28N4O2S — CID 55563224

IUPAC2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
SMILESCc1nc(SCC(=O)NCC(=O)N2CCCC2)n(CC(C)C)c1C
InChIInChI=1S/C17H28N4O2S/c1-12(2)10-21-14(4)13(3)19-17(21)24-11-15(22)18-9-16(23)20-7-5-6-8-20/h12H,5-11H2,1-4H3,(H,18,22)
InChIKeyUMAHPZQIYDNBKJ-UHFFFAOYSA-N
MW352.50 g/mol
LogP1.99
Rot. Bonds7

About 2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide

2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide (PubChem CID 55563224) has the molecular formula C17H28N4O2S and a molecular weight of 352.50 g/mol. Its IUPAC name is 2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
PubChem CID55563224
Molecular FormulaC17H28N4O2S
Molecular Weight352.50 g/mol
Exact Mass352.19
IUPAC Name2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
SMILESCc1nc(SCC(=O)NCC(=O)N2CCCC2)n(CC(C)C)c1C
InChIInChI=1S/C17H28N4O2S/c1-12(2)10-21-14(4)13(3)19-17(21)24-11-15(22)18-9-16(23)20-7-5-6-8-20/h12H,5-11H2,1-4H3,(H,18,22)
InChIKeyUMAHPZQIYDNBKJ-UHFFFAOYSA-N
XLogP1.99
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
The IUPAC name of 2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide (CID 55563224) is 2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide.
What is the SMILES notation for 2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
The canonical SMILES for 2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide is Cc1nc(SCC(=O)NCC(=O)N2CCCC2)n(CC(C)C)c1C.
What is the InChIKey of 2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
The InChIKey is UMAHPZQIYDNBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2S/c1-12(2)10-21-14(4)13(3)19-17(21)24-11-15(22)18-9-16(23)20-7-5-6-8-20/h12H,5-11H2,1-4H3,(H,18,22).
What are the key properties of 2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide has a molecular weight of 352.50 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide is sourced from PubChem (CID 55563224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).