3'-[(2-ethyl-6-propan-2-yl-3-pyridinyl)methyl]-5-methoxyspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione

C23H27N3O3 — CID 138993289

IUPAC3'-[(2-ethyl-6-propan-2-yl-3-pyridinyl)methyl]-5-methoxyspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
SMILESCCc1nc(C(C)C)ccc1CN1C(=O)NC2(CCc3ccc(OC)cc32)C1=O
InChIInChI=1S/C23H27N3O3/c1-5-19-16(7-9-20(24-19)14(2)3)13-26-21(27)23(25-22(26)28)11-10-15-6-8-17(29-4)12-18(15)23/h6-9,12,14H,5,10-11,13H2,1-4H3,(H,25,28)
InChIKeyIQXVGINRXSBZEF-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.67
Rot. Bonds5

About 3'-[(2-ethyl-6-propan-2-yl-3-pyridinyl)methyl]-5-methoxyspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione

3'-[(2-ethyl-6-propan-2-yl-3-pyridinyl)methyl]-5-methoxyspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione (PubChem CID 138993289) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 3'-[(2-ethyl-6-propan-2-yl-3-pyridinyl)methyl]-5-methoxyspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name3'-[(2-ethyl-6-propan-2-yl-3-pyridinyl)methyl]-5-methoxyspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
PubChem CID138993289
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name3'-[(2-ethyl-6-propan-2-yl-3-pyridinyl)methyl]-5-methoxyspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
SMILESCCc1nc(C(C)C)ccc1CN1C(=O)NC2(CCc3ccc(OC)cc32)C1=O
InChIInChI=1S/C23H27N3O3/c1-5-19-16(7-9-20(24-19)14(2)3)13-26-21(27)23(25-22(26)28)11-10-15-6-8-17(29-4)12-18(15)23/h6-9,12,14H,5,10-11,13H2,1-4H3,(H,25,28)
InChIKeyIQXVGINRXSBZEF-UHFFFAOYSA-N
XLogP3.67
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3'-[(2-ethyl-6-propan-2-yl-3-pyridinyl)methyl]-5-methoxyspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 3'-[(2-ethyl-6-propan-2-yl-3-pyridinyl)methyl]-5-methoxyspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione (CID 138993289) is 3'-[(2-ethyl-6-propan-2-yl-3-pyridinyl)methyl]-5-methoxyspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 3'-[(2-ethyl-6-propan-2-yl-3-pyridinyl)methyl]-5-methoxyspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 3'-[(2-ethyl-6-propan-2-yl-3-pyridinyl)methyl]-5-methoxyspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione is CCc1nc(C(C)C)ccc1CN1C(=O)NC2(CCc3ccc(OC)cc32)C1=O.
What is the InChIKey of 3'-[(2-ethyl-6-propan-2-yl-3-pyridinyl)methyl]-5-methoxyspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The InChIKey is IQXVGINRXSBZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-5-19-16(7-9-20(24-19)14(2)3)13-26-21(27)23(25-22(26)28)11-10-15-6-8-17(29-4)12-18(15)23/h6-9,12,14H,5,10-11,13H2,1-4H3,(H,25,28).
What are the key properties of 3'-[(2-ethyl-6-propan-2-yl-3-pyridinyl)methyl]-5-methoxyspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
3'-[(2-ethyl-6-propan-2-yl-3-pyridinyl)methyl]-5-methoxyspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione has a molecular weight of 393.49 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-[(2-ethyl-6-propan-2-yl-3-pyridinyl)methyl]-5-methoxyspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 138993289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).