4-[2-(3-methylthiophen-2-yl)imidazol-1-yl]-1-propan-2-ylpyrrolidin-2-one

C15H19N3OS — CID 70774182

IUPAC4-[2-(3-methylthiophen-2-yl)imidazol-1-yl]-1-propan-2-ylpyrrolidin-2-one
SMILESCc1ccsc1-c1nccn1C1CC(=O)N(C(C)C)C1
InChIInChI=1S/C15H19N3OS/c1-10(2)18-9-12(8-13(18)19)17-6-5-16-15(17)14-11(3)4-7-20-14/h4-7,10,12H,8-9H2,1-3H3
InChIKeyNIDREUMRXYLTRH-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.10
Rot. Bonds3

About 4-[2-(3-methylthiophen-2-yl)imidazol-1-yl]-1-propan-2-ylpyrrolidin-2-one

4-[2-(3-methylthiophen-2-yl)imidazol-1-yl]-1-propan-2-ylpyrrolidin-2-one (PubChem CID 70774182) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 4-[2-(3-methylthiophen-2-yl)imidazol-1-yl]-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[2-(3-methylthiophen-2-yl)imidazol-1-yl]-1-propan-2-ylpyrrolidin-2-one
PubChem CID70774182
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name4-[2-(3-methylthiophen-2-yl)imidazol-1-yl]-1-propan-2-ylpyrrolidin-2-one
SMILESCc1ccsc1-c1nccn1C1CC(=O)N(C(C)C)C1
InChIInChI=1S/C15H19N3OS/c1-10(2)18-9-12(8-13(18)19)17-6-5-16-15(17)14-11(3)4-7-20-14/h4-7,10,12H,8-9H2,1-3H3
InChIKeyNIDREUMRXYLTRH-UHFFFAOYSA-N
XLogP3.10
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methylthiophen-2-yl)imidazol-1-yl]-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 4-[2-(3-methylthiophen-2-yl)imidazol-1-yl]-1-propan-2-ylpyrrolidin-2-one (CID 70774182) is 4-[2-(3-methylthiophen-2-yl)imidazol-1-yl]-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 4-[2-(3-methylthiophen-2-yl)imidazol-1-yl]-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 4-[2-(3-methylthiophen-2-yl)imidazol-1-yl]-1-propan-2-ylpyrrolidin-2-one is Cc1ccsc1-c1nccn1C1CC(=O)N(C(C)C)C1.
What is the InChIKey of 4-[2-(3-methylthiophen-2-yl)imidazol-1-yl]-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is NIDREUMRXYLTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-10(2)18-9-12(8-13(18)19)17-6-5-16-15(17)14-11(3)4-7-20-14/h4-7,10,12H,8-9H2,1-3H3.
What are the key properties of 4-[2-(3-methylthiophen-2-yl)imidazol-1-yl]-1-propan-2-ylpyrrolidin-2-one?
4-[2-(3-methylthiophen-2-yl)imidazol-1-yl]-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 289.40 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methylthiophen-2-yl)imidazol-1-yl]-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 70774182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).