2-ethyl-3-[(1-methylpyrrolidin-3-yl)methyl]-5-phenylimidazolidin-4-one

C17H25N3O — CID 83245743

IUPAC2-ethyl-3-[(1-methylpyrrolidin-3-yl)methyl]-5-phenylimidazolidin-4-one
SMILESCCC1NC(c2ccccc2)C(=O)N1CC1CCN(C)C1
InChIInChI=1S/C17H25N3O/c1-3-15-18-16(14-7-5-4-6-8-14)17(21)20(15)12-13-9-10-19(2)11-13/h4-8,13,15-16,18H,3,9-12H2,1-2H3
InChIKeyJDMAAPPUMBBRQA-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.85
Rot. Bonds4

About 2-ethyl-3-[(1-methylpyrrolidin-3-yl)methyl]-5-phenylimidazolidin-4-one

2-ethyl-3-[(1-methylpyrrolidin-3-yl)methyl]-5-phenylimidazolidin-4-one (PubChem CID 83245743) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-ethyl-3-[(1-methylpyrrolidin-3-yl)methyl]-5-phenylimidazolidin-4-one.

Molecular Properties

Compound Name2-ethyl-3-[(1-methylpyrrolidin-3-yl)methyl]-5-phenylimidazolidin-4-one
PubChem CID83245743
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-ethyl-3-[(1-methylpyrrolidin-3-yl)methyl]-5-phenylimidazolidin-4-one
SMILESCCC1NC(c2ccccc2)C(=O)N1CC1CCN(C)C1
InChIInChI=1S/C17H25N3O/c1-3-15-18-16(14-7-5-4-6-8-14)17(21)20(15)12-13-9-10-19(2)11-13/h4-8,13,15-16,18H,3,9-12H2,1-2H3
InChIKeyJDMAAPPUMBBRQA-UHFFFAOYSA-N
XLogP1.85
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-[(1-methylpyrrolidin-3-yl)methyl]-5-phenylimidazolidin-4-one?
The IUPAC name of 2-ethyl-3-[(1-methylpyrrolidin-3-yl)methyl]-5-phenylimidazolidin-4-one (CID 83245743) is 2-ethyl-3-[(1-methylpyrrolidin-3-yl)methyl]-5-phenylimidazolidin-4-one.
What is the SMILES notation for 2-ethyl-3-[(1-methylpyrrolidin-3-yl)methyl]-5-phenylimidazolidin-4-one?
The canonical SMILES for 2-ethyl-3-[(1-methylpyrrolidin-3-yl)methyl]-5-phenylimidazolidin-4-one is CCC1NC(c2ccccc2)C(=O)N1CC1CCN(C)C1.
What is the InChIKey of 2-ethyl-3-[(1-methylpyrrolidin-3-yl)methyl]-5-phenylimidazolidin-4-one?
The InChIKey is JDMAAPPUMBBRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-3-15-18-16(14-7-5-4-6-8-14)17(21)20(15)12-13-9-10-19(2)11-13/h4-8,13,15-16,18H,3,9-12H2,1-2H3.
What are the key properties of 2-ethyl-3-[(1-methylpyrrolidin-3-yl)methyl]-5-phenylimidazolidin-4-one?
2-ethyl-3-[(1-methylpyrrolidin-3-yl)methyl]-5-phenylimidazolidin-4-one has a molecular weight of 287.41 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-[(1-methylpyrrolidin-3-yl)methyl]-5-phenylimidazolidin-4-one is sourced from PubChem (CID 83245743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).