5-[3-[2-(1,3-dihydroisoindol-2-yl)ethyl]-2-oxoimidazolidin-1-yl]-2-fluorobenzonitrile

C20H19FN4O — CID 45268987

IUPAC5-[3-[2-(1,3-dihydroisoindol-2-yl)ethyl]-2-oxoimidazolidin-1-yl]-2-fluorobenzonitrile
SMILESN#Cc1cc(N2CCN(CCN3Cc4ccccc4C3)C2=O)ccc1F
InChIInChI=1S/C20H19FN4O/c21-19-6-5-18(11-17(19)12-22)25-10-9-24(20(25)26)8-7-23-13-15-3-1-2-4-16(15)14-23/h1-6,11H,7-10,13-14H2
InChIKeyDGTBKKBZRIVWMP-UHFFFAOYSA-N
MW350.40 g/mol
LogP2.96
Rot. Bonds4

About 5-[3-[2-(1,3-dihydroisoindol-2-yl)ethyl]-2-oxoimidazolidin-1-yl]-2-fluorobenzonitrile

5-[3-[2-(1,3-dihydroisoindol-2-yl)ethyl]-2-oxoimidazolidin-1-yl]-2-fluorobenzonitrile (PubChem CID 45268987) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is 5-[3-[2-(1,3-dihydroisoindol-2-yl)ethyl]-2-oxoimidazolidin-1-yl]-2-fluorobenzonitrile.

Molecular Properties

Compound Name5-[3-[2-(1,3-dihydroisoindol-2-yl)ethyl]-2-oxoimidazolidin-1-yl]-2-fluorobenzonitrile
PubChem CID45268987
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC Name5-[3-[2-(1,3-dihydroisoindol-2-yl)ethyl]-2-oxoimidazolidin-1-yl]-2-fluorobenzonitrile
SMILESN#Cc1cc(N2CCN(CCN3Cc4ccccc4C3)C2=O)ccc1F
InChIInChI=1S/C20H19FN4O/c21-19-6-5-18(11-17(19)12-22)25-10-9-24(20(25)26)8-7-23-13-15-3-1-2-4-16(15)14-23/h1-6,11H,7-10,13-14H2
InChIKeyDGTBKKBZRIVWMP-UHFFFAOYSA-N
XLogP2.96
TPSA50.58 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[2-(1,3-dihydroisoindol-2-yl)ethyl]-2-oxoimidazolidin-1-yl]-2-fluorobenzonitrile?
The IUPAC name of 5-[3-[2-(1,3-dihydroisoindol-2-yl)ethyl]-2-oxoimidazolidin-1-yl]-2-fluorobenzonitrile (CID 45268987) is 5-[3-[2-(1,3-dihydroisoindol-2-yl)ethyl]-2-oxoimidazolidin-1-yl]-2-fluorobenzonitrile.
What is the SMILES notation for 5-[3-[2-(1,3-dihydroisoindol-2-yl)ethyl]-2-oxoimidazolidin-1-yl]-2-fluorobenzonitrile?
The canonical SMILES for 5-[3-[2-(1,3-dihydroisoindol-2-yl)ethyl]-2-oxoimidazolidin-1-yl]-2-fluorobenzonitrile is N#Cc1cc(N2CCN(CCN3Cc4ccccc4C3)C2=O)ccc1F.
What is the InChIKey of 5-[3-[2-(1,3-dihydroisoindol-2-yl)ethyl]-2-oxoimidazolidin-1-yl]-2-fluorobenzonitrile?
The InChIKey is DGTBKKBZRIVWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c21-19-6-5-18(11-17(19)12-22)25-10-9-24(20(25)26)8-7-23-13-15-3-1-2-4-16(15)14-23/h1-6,11H,7-10,13-14H2.
What are the key properties of 5-[3-[2-(1,3-dihydroisoindol-2-yl)ethyl]-2-oxoimidazolidin-1-yl]-2-fluorobenzonitrile?
5-[3-[2-(1,3-dihydroisoindol-2-yl)ethyl]-2-oxoimidazolidin-1-yl]-2-fluorobenzonitrile has a molecular weight of 350.40 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[2-(1,3-dihydroisoindol-2-yl)ethyl]-2-oxoimidazolidin-1-yl]-2-fluorobenzonitrile is sourced from PubChem (CID 45268987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).