(10aS)-2-(4-propan-2-ylphenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione

C20H20N2O2 — CID 666082

IUPAC(10aS)-2-(4-propan-2-ylphenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione
SMILESCC(C)c1ccc(N2C(=O)[C@@H]3Cc4ccccc4CN3C2=O)cc1
InChIInChI=1S/C20H20N2O2/c1-13(2)14-7-9-17(10-8-14)22-19(23)18-11-15-5-3-4-6-16(15)12-21(18)20(22)24/h3-10,13,18H,11-12H2,1-2H3/t18-/m0/s1
InChIKeyMUXPVSQJLMEBFK-SFHVURJKSA-N
MW320.39 g/mol
LogP3.70
Rot. Bonds2

About (10aS)-2-(4-propan-2-ylphenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione

(10aS)-2-(4-propan-2-ylphenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione (PubChem CID 666082) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is (10aS)-2-(4-propan-2-ylphenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione.

Molecular Properties

Compound Name(10aS)-2-(4-propan-2-ylphenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione
PubChem CID666082
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name(10aS)-2-(4-propan-2-ylphenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione
SMILESCC(C)c1ccc(N2C(=O)[C@@H]3Cc4ccccc4CN3C2=O)cc1
InChIInChI=1S/C20H20N2O2/c1-13(2)14-7-9-17(10-8-14)22-19(23)18-11-15-5-3-4-6-16(15)12-21(18)20(22)24/h3-10,13,18H,11-12H2,1-2H3/t18-/m0/s1
InChIKeyMUXPVSQJLMEBFK-SFHVURJKSA-N
XLogP3.70
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (10aS)-2-(4-propan-2-ylphenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione?
The IUPAC name of (10aS)-2-(4-propan-2-ylphenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione (CID 666082) is (10aS)-2-(4-propan-2-ylphenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione.
What is the SMILES notation for (10aS)-2-(4-propan-2-ylphenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione?
The canonical SMILES for (10aS)-2-(4-propan-2-ylphenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione is CC(C)c1ccc(N2C(=O)[C@@H]3Cc4ccccc4CN3C2=O)cc1.
What is the InChIKey of (10aS)-2-(4-propan-2-ylphenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione?
The InChIKey is MUXPVSQJLMEBFK-SFHVURJKSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-13(2)14-7-9-17(10-8-14)22-19(23)18-11-15-5-3-4-6-16(15)12-21(18)20(22)24/h3-10,13,18H,11-12H2,1-2H3/t18-/m0/s1.
What are the key properties of (10aS)-2-(4-propan-2-ylphenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione?
(10aS)-2-(4-propan-2-ylphenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione has a molecular weight of 320.39 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10aS)-2-(4-propan-2-ylphenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione is sourced from PubChem (CID 666082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).