3-[3-[2-(1,3-dihydroisoindol-2-yl)ethyl]-2-oxoimidazolidin-1-yl]benzonitrile

C20H20N4O — CID 45267254

IUPAC3-[3-[2-(1,3-dihydroisoindol-2-yl)ethyl]-2-oxoimidazolidin-1-yl]benzonitrile
SMILESN#Cc1cccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1
InChIInChI=1S/C20H20N4O/c21-13-16-4-3-7-19(12-16)24-11-10-23(20(24)25)9-8-22-14-17-5-1-2-6-18(17)15-22/h1-7,12H,8-11,14-15H2
InChIKeyJZHYUFZRYZRTGH-UHFFFAOYSA-N
MW332.41 g/mol
LogP2.82
Rot. Bonds4

About 3-[3-[2-(1,3-dihydroisoindol-2-yl)ethyl]-2-oxoimidazolidin-1-yl]benzonitrile

3-[3-[2-(1,3-dihydroisoindol-2-yl)ethyl]-2-oxoimidazolidin-1-yl]benzonitrile (PubChem CID 45267254) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 3-[3-[2-(1,3-dihydroisoindol-2-yl)ethyl]-2-oxoimidazolidin-1-yl]benzonitrile.

Molecular Properties

Compound Name3-[3-[2-(1,3-dihydroisoindol-2-yl)ethyl]-2-oxoimidazolidin-1-yl]benzonitrile
PubChem CID45267254
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name3-[3-[2-(1,3-dihydroisoindol-2-yl)ethyl]-2-oxoimidazolidin-1-yl]benzonitrile
SMILESN#Cc1cccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1
InChIInChI=1S/C20H20N4O/c21-13-16-4-3-7-19(12-16)24-11-10-23(20(24)25)9-8-22-14-17-5-1-2-6-18(17)15-22/h1-7,12H,8-11,14-15H2
InChIKeyJZHYUFZRYZRTGH-UHFFFAOYSA-N
XLogP2.82
TPSA50.58 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(3-Chlorophenyl)-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one
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1-(4-Tert-butylphenyl)-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one
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5-[3-[2-(1,3-Dihydroisoindol-2-yl)ethyl]-2-oxoimidazolidin-1-yl]-2-fluorobenzonitrile
CID 45268987
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3-[2-Oxo-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]imidazolidin-1-yl]benzonitrile
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2-Fluoro-5-[2-oxo-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]imidazolidin-1-yl]benzonitrile
CID 45273293
1-[2-(1,3-Dihydroisoindol-2-yl)ethyl]-3-(3-propan-2-ylphenyl)imidazolidin-2-one
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Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(1,3-dihydroisoindol-2-yl)ethyl]-2-oxoimidazolidin-1-yl]benzonitrile?
The IUPAC name of 3-[3-[2-(1,3-dihydroisoindol-2-yl)ethyl]-2-oxoimidazolidin-1-yl]benzonitrile (CID 45267254) is 3-[3-[2-(1,3-dihydroisoindol-2-yl)ethyl]-2-oxoimidazolidin-1-yl]benzonitrile.
What is the SMILES notation for 3-[3-[2-(1,3-dihydroisoindol-2-yl)ethyl]-2-oxoimidazolidin-1-yl]benzonitrile?
The canonical SMILES for 3-[3-[2-(1,3-dihydroisoindol-2-yl)ethyl]-2-oxoimidazolidin-1-yl]benzonitrile is N#Cc1cccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1.
What is the InChIKey of 3-[3-[2-(1,3-dihydroisoindol-2-yl)ethyl]-2-oxoimidazolidin-1-yl]benzonitrile?
The InChIKey is JZHYUFZRYZRTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c21-13-16-4-3-7-19(12-16)24-11-10-23(20(24)25)9-8-22-14-17-5-1-2-6-18(17)15-22/h1-7,12H,8-11,14-15H2.
What are the key properties of 3-[3-[2-(1,3-dihydroisoindol-2-yl)ethyl]-2-oxoimidazolidin-1-yl]benzonitrile?
3-[3-[2-(1,3-dihydroisoindol-2-yl)ethyl]-2-oxoimidazolidin-1-yl]benzonitrile has a molecular weight of 332.41 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(1,3-dihydroisoindol-2-yl)ethyl]-2-oxoimidazolidin-1-yl]benzonitrile is sourced from PubChem (CID 45267254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).