5-benzyl-4-(3-propylimidazol-4-yl)pyrrolidin-2-one

C17H21N3O — CID 66129465

IUPAC5-benzyl-4-(3-propylimidazol-4-yl)pyrrolidin-2-one
SMILESCCCn1cncc1C1CC(=O)NC1Cc1ccccc1
InChIInChI=1S/C17H21N3O/c1-2-8-20-12-18-11-16(20)14-10-17(21)19-15(14)9-13-6-4-3-5-7-13/h3-7,11-12,14-15H,2,8-10H2,1H3,(H,19,21)
InChIKeyMSXWEHVWHKURQR-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.51
Rot. Bonds5

About 5-benzyl-4-(3-propylimidazol-4-yl)pyrrolidin-2-one

5-benzyl-4-(3-propylimidazol-4-yl)pyrrolidin-2-one (PubChem CID 66129465) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 5-benzyl-4-(3-propylimidazol-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-benzyl-4-(3-propylimidazol-4-yl)pyrrolidin-2-one
PubChem CID66129465
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name5-benzyl-4-(3-propylimidazol-4-yl)pyrrolidin-2-one
SMILESCCCn1cncc1C1CC(=O)NC1Cc1ccccc1
InChIInChI=1S/C17H21N3O/c1-2-8-20-12-18-11-16(20)14-10-17(21)19-15(14)9-13-6-4-3-5-7-13/h3-7,11-12,14-15H,2,8-10H2,1H3,(H,19,21)
InChIKeyMSXWEHVWHKURQR-UHFFFAOYSA-N
XLogP2.51
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-4-(3-propylimidazol-4-yl)pyrrolidin-2-one?
The IUPAC name of 5-benzyl-4-(3-propylimidazol-4-yl)pyrrolidin-2-one (CID 66129465) is 5-benzyl-4-(3-propylimidazol-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 5-benzyl-4-(3-propylimidazol-4-yl)pyrrolidin-2-one?
The canonical SMILES for 5-benzyl-4-(3-propylimidazol-4-yl)pyrrolidin-2-one is CCCn1cncc1C1CC(=O)NC1Cc1ccccc1.
What is the InChIKey of 5-benzyl-4-(3-propylimidazol-4-yl)pyrrolidin-2-one?
The InChIKey is MSXWEHVWHKURQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-2-8-20-12-18-11-16(20)14-10-17(21)19-15(14)9-13-6-4-3-5-7-13/h3-7,11-12,14-15H,2,8-10H2,1H3,(H,19,21).
What are the key properties of 5-benzyl-4-(3-propylimidazol-4-yl)pyrrolidin-2-one?
5-benzyl-4-(3-propylimidazol-4-yl)pyrrolidin-2-one has a molecular weight of 283.38 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-4-(3-propylimidazol-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 66129465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).