2-[2-[2-[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl]tetrazol-5-yl]ethyl]isoindole-1,3-dione

C23H23N5O3 — CID 8520261

IUPAC2-[2-[2-[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl]tetrazol-5-yl]ethyl]isoindole-1,3-dione
SMILESCc1cc(C(=O)Cn2nnc(CCN3C(=O)c4ccccc4C3=O)n2)c(C)c(C)c1C
InChIInChI=1S/C23H23N5O3/c1-13-11-19(16(4)15(3)14(13)2)20(29)12-28-25-21(24-26-28)9-10-27-22(30)17-7-5-6-8-18(17)23(27)31/h5-8,11H,9-10,12H2,1-4H3
InChIKeyQIKYJHRXCKRTOI-UHFFFAOYSA-N
MW417.47 g/mol
LogP2.63
Rot. Bonds6

About 2-[2-[2-[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl]tetrazol-5-yl]ethyl]isoindole-1,3-dione

2-[2-[2-[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl]tetrazol-5-yl]ethyl]isoindole-1,3-dione (PubChem CID 8520261) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is 2-[2-[2-[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl]tetrazol-5-yl]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[2-[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl]tetrazol-5-yl]ethyl]isoindole-1,3-dione
PubChem CID8520261
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC Name2-[2-[2-[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl]tetrazol-5-yl]ethyl]isoindole-1,3-dione
SMILESCc1cc(C(=O)Cn2nnc(CCN3C(=O)c4ccccc4C3=O)n2)c(C)c(C)c1C
InChIInChI=1S/C23H23N5O3/c1-13-11-19(16(4)15(3)14(13)2)20(29)12-28-25-21(24-26-28)9-10-27-22(30)17-7-5-6-8-18(17)23(27)31/h5-8,11H,9-10,12H2,1-4H3
InChIKeyQIKYJHRXCKRTOI-UHFFFAOYSA-N
XLogP2.63
TPSA98.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl]tetrazol-5-yl]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[2-[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl]tetrazol-5-yl]ethyl]isoindole-1,3-dione (CID 8520261) is 2-[2-[2-[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl]tetrazol-5-yl]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[2-[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl]tetrazol-5-yl]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[2-[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl]tetrazol-5-yl]ethyl]isoindole-1,3-dione is Cc1cc(C(=O)Cn2nnc(CCN3C(=O)c4ccccc4C3=O)n2)c(C)c(C)c1C.
What is the InChIKey of 2-[2-[2-[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl]tetrazol-5-yl]ethyl]isoindole-1,3-dione?
The InChIKey is QIKYJHRXCKRTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c1-13-11-19(16(4)15(3)14(13)2)20(29)12-28-25-21(24-26-28)9-10-27-22(30)17-7-5-6-8-18(17)23(27)31/h5-8,11H,9-10,12H2,1-4H3.
What are the key properties of 2-[2-[2-[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl]tetrazol-5-yl]ethyl]isoindole-1,3-dione?
2-[2-[2-[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl]tetrazol-5-yl]ethyl]isoindole-1,3-dione has a molecular weight of 417.47 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl]tetrazol-5-yl]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 8520261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).