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

C22H27N3O — CID 45273334

IUPAC1-[2-(1,3-dihydroisoindol-2-yl)ethyl]-3-(3-propan-2-ylphenyl)imidazolidin-2-one
SMILESCC(C)c1cccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1
InChIInChI=1S/C22H27N3O/c1-17(2)18-8-5-9-21(14-18)25-13-12-24(22(25)26)11-10-23-15-19-6-3-4-7-20(19)16-23/h3-9,14,17H,10-13,15-16H2,1-2H3
InChIKeyCABPVRYEFMWZCX-UHFFFAOYSA-N
MW349.48 g/mol
LogP4.07
Rot. Bonds5

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

1-[2-(1,3-dihydroisoindol-2-yl)ethyl]-3-(3-propan-2-ylphenyl)imidazolidin-2-one (PubChem CID 45273334) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is 1-[2-(1,3-dihydroisoindol-2-yl)ethyl]-3-(3-propan-2-ylphenyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(1,3-dihydroisoindol-2-yl)ethyl]-3-(3-propan-2-ylphenyl)imidazolidin-2-one
PubChem CID45273334
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name1-[2-(1,3-dihydroisoindol-2-yl)ethyl]-3-(3-propan-2-ylphenyl)imidazolidin-2-one
SMILESCC(C)c1cccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1
InChIInChI=1S/C22H27N3O/c1-17(2)18-8-5-9-21(14-18)25-13-12-24(22(25)26)11-10-23-15-19-6-3-4-7-20(19)16-23/h3-9,14,17H,10-13,15-16H2,1-2H3
InChIKeyCABPVRYEFMWZCX-UHFFFAOYSA-N
XLogP4.07
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-dihydroisoindol-2-yl)ethyl]-3-(3-propan-2-ylphenyl)imidazolidin-2-one?
The IUPAC name of 1-[2-(1,3-dihydroisoindol-2-yl)ethyl]-3-(3-propan-2-ylphenyl)imidazolidin-2-one (CID 45273334) is 1-[2-(1,3-dihydroisoindol-2-yl)ethyl]-3-(3-propan-2-ylphenyl)imidazolidin-2-one.
What is the SMILES notation for 1-[2-(1,3-dihydroisoindol-2-yl)ethyl]-3-(3-propan-2-ylphenyl)imidazolidin-2-one?
The canonical SMILES for 1-[2-(1,3-dihydroisoindol-2-yl)ethyl]-3-(3-propan-2-ylphenyl)imidazolidin-2-one is CC(C)c1cccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1.
What is the InChIKey of 1-[2-(1,3-dihydroisoindol-2-yl)ethyl]-3-(3-propan-2-ylphenyl)imidazolidin-2-one?
The InChIKey is CABPVRYEFMWZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-17(2)18-8-5-9-21(14-18)25-13-12-24(22(25)26)11-10-23-15-19-6-3-4-7-20(19)16-23/h3-9,14,17H,10-13,15-16H2,1-2H3.
What are the key properties of 1-[2-(1,3-dihydroisoindol-2-yl)ethyl]-3-(3-propan-2-ylphenyl)imidazolidin-2-one?
1-[2-(1,3-dihydroisoindol-2-yl)ethyl]-3-(3-propan-2-ylphenyl)imidazolidin-2-one has a molecular weight of 349.48 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-dihydroisoindol-2-yl)ethyl]-3-(3-propan-2-ylphenyl)imidazolidin-2-one is sourced from PubChem (CID 45273334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).