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

C18H16N2O2 — CID 667195

IUPAC(10aS)-2-(2-methylphenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione
SMILESCc1ccccc1N1C(=O)[C@@H]2Cc3ccccc3CN2C1=O
InChIInChI=1S/C18H16N2O2/c1-12-6-2-5-9-15(12)20-17(21)16-10-13-7-3-4-8-14(13)11-19(16)18(20)22/h2-9,16H,10-11H2,1H3/t16-/m0/s1
InChIKeyPQVNLAXIXQDBPY-INIZCTEOSA-N
MW292.34 g/mol
LogP2.89
Rot. Bonds1

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

(10aS)-2-(2-methylphenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione (PubChem CID 667195) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is (10aS)-2-(2-methylphenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione.

Molecular Properties

Compound Name(10aS)-2-(2-methylphenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione
PubChem CID667195
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name(10aS)-2-(2-methylphenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione
SMILESCc1ccccc1N1C(=O)[C@@H]2Cc3ccccc3CN2C1=O
InChIInChI=1S/C18H16N2O2/c1-12-6-2-5-9-15(12)20-17(21)16-10-13-7-3-4-8-14(13)11-19(16)18(20)22/h2-9,16H,10-11H2,1H3/t16-/m0/s1
InChIKeyPQVNLAXIXQDBPY-INIZCTEOSA-N
XLogP2.89
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.89
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-(2-methylphenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione?
The IUPAC name of (10aS)-2-(2-methylphenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione (CID 667195) is (10aS)-2-(2-methylphenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione.
What is the SMILES notation for (10aS)-2-(2-methylphenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione?
The canonical SMILES for (10aS)-2-(2-methylphenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione is Cc1ccccc1N1C(=O)[C@@H]2Cc3ccccc3CN2C1=O.
What is the InChIKey of (10aS)-2-(2-methylphenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione?
The InChIKey is PQVNLAXIXQDBPY-INIZCTEOSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-12-6-2-5-9-15(12)20-17(21)16-10-13-7-3-4-8-14(13)11-19(16)18(20)22/h2-9,16H,10-11H2,1H3/t16-/m0/s1.
What are the key properties of (10aS)-2-(2-methylphenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione?
(10aS)-2-(2-methylphenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione has a molecular weight of 292.34 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10aS)-2-(2-methylphenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione is sourced from PubChem (CID 667195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).