1-benzyl-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one

C20H23N3O — CID 45272412

IUPAC1-benzyl-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one
SMILESO=C1N(CCN2Cc3ccccc3C2)CCN1Cc1ccccc1
InChIInChI=1S/C20H23N3O/c24-20-22(12-13-23(20)14-17-6-2-1-3-7-17)11-10-21-15-18-8-4-5-9-19(18)16-21/h1-9H,10-16H2
InChIKeyWFTWXCASVFKOAM-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.94
Rot. Bonds5

About 1-benzyl-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one

1-benzyl-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one (PubChem CID 45272412) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 1-benzyl-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-benzyl-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one
PubChem CID45272412
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name1-benzyl-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one
SMILESO=C1N(CCN2Cc3ccccc3C2)CCN1Cc1ccccc1
InChIInChI=1S/C20H23N3O/c24-20-22(12-13-23(20)14-17-6-2-1-3-7-17)11-10-21-15-18-8-4-5-9-19(18)16-21/h1-9H,10-16H2
InChIKeyWFTWXCASVFKOAM-UHFFFAOYSA-N
XLogP2.94
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one?
The IUPAC name of 1-benzyl-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one (CID 45272412) is 1-benzyl-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-benzyl-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one?
The canonical SMILES for 1-benzyl-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one is O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one?
The InChIKey is WFTWXCASVFKOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c24-20-22(12-13-23(20)14-17-6-2-1-3-7-17)11-10-21-15-18-8-4-5-9-19(18)16-21/h1-9H,10-16H2.
What are the key properties of 1-benzyl-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one?
1-benzyl-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one has a molecular weight of 321.42 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one is sourced from PubChem (CID 45272412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).