3-[(1-ethylpyrrolidin-2-yl)methyl]-2-phenylimidazolidin-4-one

C16H23N3O — CID 83250520

IUPAC3-[(1-ethylpyrrolidin-2-yl)methyl]-2-phenylimidazolidin-4-one
SMILESCCN1CCCC1CN1C(=O)CNC1c1ccccc1
InChIInChI=1S/C16H23N3O/c1-2-18-10-6-9-14(18)12-19-15(20)11-17-16(19)13-7-4-3-5-8-13/h3-5,7-8,14,16-17H,2,6,9-12H2,1H3
InChIKeyGRSRBANGYYHPPE-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.60
Rot. Bonds4

About 3-[(1-ethylpyrrolidin-2-yl)methyl]-2-phenylimidazolidin-4-one

3-[(1-ethylpyrrolidin-2-yl)methyl]-2-phenylimidazolidin-4-one (PubChem CID 83250520) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-[(1-ethylpyrrolidin-2-yl)methyl]-2-phenylimidazolidin-4-one.

Molecular Properties

Compound Name3-[(1-ethylpyrrolidin-2-yl)methyl]-2-phenylimidazolidin-4-one
PubChem CID83250520
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name3-[(1-ethylpyrrolidin-2-yl)methyl]-2-phenylimidazolidin-4-one
SMILESCCN1CCCC1CN1C(=O)CNC1c1ccccc1
InChIInChI=1S/C16H23N3O/c1-2-18-10-6-9-14(18)12-19-15(20)11-17-16(19)13-7-4-3-5-8-13/h3-5,7-8,14,16-17H,2,6,9-12H2,1H3
InChIKeyGRSRBANGYYHPPE-UHFFFAOYSA-N
XLogP1.60
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclopropylmethyl)-2-phenylimidazolidin-4-one
CID 83250909
3-[(3-methylcyclopentyl)methyl]-2-phenylimidazolidin-4-one
CID 107416096
3-(oxan-2-ylmethyl)-2-phenylimidazolidin-4-one
CID 83256657
2-phenyl-3-(2-pyrrolidin-1-ylpropyl)imidazolidin-4-one
CID 83270706
3-[(1-ethylcyclopropyl)methyl]-2-phenylimidazolidin-4-one
CID 114102650
3-(cyclopropylmethyl)-2-(4-ethylphenyl)imidazolidin-4-one
CID 83251072
2-(3-methylphenyl)-3-[(1-methylpiperidin-3-yl)methyl]imidazolidin-4-one
CID 83246906
2-(4-chlorophenyl)-3-(cyclopentylmethyl)imidazolidin-4-one
CID 83243667
3-(cyclobutylmethyl)-2-(4-propan-2-ylphenyl)imidazolidin-4-one
CID 83243420
ethane;1-ethyl-2-phenylpyrrolidine
CID 177062481
2-phenyl-3-(1-propylpiperidin-4-yl)imidazolidin-4-one
CID 83253513
3-[(1-methylpiperidin-2-yl)methyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83245106

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpyrrolidin-2-yl)methyl]-2-phenylimidazolidin-4-one?
The IUPAC name of 3-[(1-ethylpyrrolidin-2-yl)methyl]-2-phenylimidazolidin-4-one (CID 83250520) is 3-[(1-ethylpyrrolidin-2-yl)methyl]-2-phenylimidazolidin-4-one.
What is the SMILES notation for 3-[(1-ethylpyrrolidin-2-yl)methyl]-2-phenylimidazolidin-4-one?
The canonical SMILES for 3-[(1-ethylpyrrolidin-2-yl)methyl]-2-phenylimidazolidin-4-one is CCN1CCCC1CN1C(=O)CNC1c1ccccc1.
What is the InChIKey of 3-[(1-ethylpyrrolidin-2-yl)methyl]-2-phenylimidazolidin-4-one?
The InChIKey is GRSRBANGYYHPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-2-18-10-6-9-14(18)12-19-15(20)11-17-16(19)13-7-4-3-5-8-13/h3-5,7-8,14,16-17H,2,6,9-12H2,1H3.
What are the key properties of 3-[(1-ethylpyrrolidin-2-yl)methyl]-2-phenylimidazolidin-4-one?
3-[(1-ethylpyrrolidin-2-yl)methyl]-2-phenylimidazolidin-4-one has a molecular weight of 273.38 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylpyrrolidin-2-yl)methyl]-2-phenylimidazolidin-4-one is sourced from PubChem (CID 83250520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).