1-(4-tert-butylphenyl)-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one

C23H29N3O — CID 45268120

IUPAC1-(4-tert-butylphenyl)-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one
SMILESCC(C)(C)c1ccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)cc1
InChIInChI=1S/C23H29N3O/c1-23(2,3)20-8-10-21(11-9-20)26-15-14-25(22(26)27)13-12-24-16-18-6-4-5-7-19(18)17-24/h4-11H,12-17H2,1-3H3
InChIKeyZQIADMORWXCKPH-UHFFFAOYSA-N
MW363.51 g/mol
LogP4.24
Rot. Bonds4

About 1-(4-tert-butylphenyl)-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one

1-(4-tert-butylphenyl)-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one (PubChem CID 45268120) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one
PubChem CID45268120
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC Name1-(4-tert-butylphenyl)-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one
SMILESCC(C)(C)c1ccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)cc1
InChIInChI=1S/C23H29N3O/c1-23(2,3)20-8-10-21(11-9-20)26-15-14-25(22(26)27)13-12-24-16-18-6-4-5-7-19(18)17-24/h4-11H,12-17H2,1-3H3
InChIKeyZQIADMORWXCKPH-UHFFFAOYSA-N
XLogP4.24
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one?
The IUPAC name of 1-(4-tert-butylphenyl)-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one (CID 45268120) is 1-(4-tert-butylphenyl)-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-(4-tert-butylphenyl)-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one?
The canonical SMILES for 1-(4-tert-butylphenyl)-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one is CC(C)(C)c1ccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one?
The InChIKey is ZQIADMORWXCKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c1-23(2,3)20-8-10-21(11-9-20)26-15-14-25(22(26)27)13-12-24-16-18-6-4-5-7-19(18)17-24/h4-11H,12-17H2,1-3H3.
What are the key properties of 1-(4-tert-butylphenyl)-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one?
1-(4-tert-butylphenyl)-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one has a molecular weight of 363.51 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one is sourced from PubChem (CID 45268120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).