1-(2-methylpropyl)-4-(5-thiophen-3-yl-1H-imidazol-2-yl)pyrrolidin-2-one

C15H19N3OS — CID 45237233

IUPAC1-(2-methylpropyl)-4-(5-thiophen-3-yl-1H-imidazol-2-yl)pyrrolidin-2-one
SMILESCC(C)CN1CC(c2ncc(-c3ccsc3)[nH]2)CC1=O
InChIInChI=1S/C15H19N3OS/c1-10(2)7-18-8-12(5-14(18)19)15-16-6-13(17-15)11-3-4-20-9-11/h3-4,6,9-10,12H,5,7-8H2,1-2H3,(H,16,17)
InChIKeyFNZHHYVQNQHLIO-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.11
Rot. Bonds4

About 1-(2-methylpropyl)-4-(5-thiophen-3-yl-1H-imidazol-2-yl)pyrrolidin-2-one

1-(2-methylpropyl)-4-(5-thiophen-3-yl-1H-imidazol-2-yl)pyrrolidin-2-one (PubChem CID 45237233) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 1-(2-methylpropyl)-4-(5-thiophen-3-yl-1H-imidazol-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-methylpropyl)-4-(5-thiophen-3-yl-1H-imidazol-2-yl)pyrrolidin-2-one
PubChem CID45237233
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name1-(2-methylpropyl)-4-(5-thiophen-3-yl-1H-imidazol-2-yl)pyrrolidin-2-one
SMILESCC(C)CN1CC(c2ncc(-c3ccsc3)[nH]2)CC1=O
InChIInChI=1S/C15H19N3OS/c1-10(2)7-18-8-12(5-14(18)19)15-16-6-13(17-15)11-3-4-20-9-11/h3-4,6,9-10,12H,5,7-8H2,1-2H3,(H,16,17)
InChIKeyFNZHHYVQNQHLIO-UHFFFAOYSA-N
XLogP3.11
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-4-(5-thiophen-3-yl-1H-imidazol-2-yl)pyrrolidin-2-one?
The IUPAC name of 1-(2-methylpropyl)-4-(5-thiophen-3-yl-1H-imidazol-2-yl)pyrrolidin-2-one (CID 45237233) is 1-(2-methylpropyl)-4-(5-thiophen-3-yl-1H-imidazol-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2-methylpropyl)-4-(5-thiophen-3-yl-1H-imidazol-2-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(2-methylpropyl)-4-(5-thiophen-3-yl-1H-imidazol-2-yl)pyrrolidin-2-one is CC(C)CN1CC(c2ncc(-c3ccsc3)[nH]2)CC1=O.
What is the InChIKey of 1-(2-methylpropyl)-4-(5-thiophen-3-yl-1H-imidazol-2-yl)pyrrolidin-2-one?
The InChIKey is FNZHHYVQNQHLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-10(2)7-18-8-12(5-14(18)19)15-16-6-13(17-15)11-3-4-20-9-11/h3-4,6,9-10,12H,5,7-8H2,1-2H3,(H,16,17).
What are the key properties of 1-(2-methylpropyl)-4-(5-thiophen-3-yl-1H-imidazol-2-yl)pyrrolidin-2-one?
1-(2-methylpropyl)-4-(5-thiophen-3-yl-1H-imidazol-2-yl)pyrrolidin-2-one has a molecular weight of 289.40 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-4-(5-thiophen-3-yl-1H-imidazol-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 45237233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).