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

C17H13FN2O2 — CID 7632350

IUPAC(10aS)-2-(4-fluorophenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione
SMILESO=C1[C@@H]2Cc3ccccc3CN2C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C17H13FN2O2/c18-13-5-7-14(8-6-13)20-16(21)15-9-11-3-1-2-4-12(11)10-19(15)17(20)22/h1-8,15H,9-10H2/t15-/m0/s1
InChIKeyLRTVPWYBJBRVBP-HNNXBMFYSA-N
MW296.30 g/mol
LogP2.72
Rot. Bonds1

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

(10aS)-2-(4-fluorophenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione (PubChem CID 7632350) has the molecular formula C17H13FN2O2 and a molecular weight of 296.30 g/mol. Its IUPAC name is (10aS)-2-(4-fluorophenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione.

Molecular Properties

Compound Name(10aS)-2-(4-fluorophenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione
PubChem CID7632350
Molecular FormulaC17H13FN2O2
Molecular Weight296.30 g/mol
Exact Mass296.10
IUPAC Name(10aS)-2-(4-fluorophenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione
SMILESO=C1[C@@H]2Cc3ccccc3CN2C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C17H13FN2O2/c18-13-5-7-14(8-6-13)20-16(21)15-9-11-3-1-2-4-12(11)10-19(15)17(20)22/h1-8,15H,9-10H2/t15-/m0/s1
InChIKeyLRTVPWYBJBRVBP-HNNXBMFYSA-N
XLogP2.72
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 52.72
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-fluorophenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione?
The IUPAC name of (10aS)-2-(4-fluorophenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione (CID 7632350) is (10aS)-2-(4-fluorophenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione.
What is the SMILES notation for (10aS)-2-(4-fluorophenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione?
The canonical SMILES for (10aS)-2-(4-fluorophenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione is O=C1[C@@H]2Cc3ccccc3CN2C(=O)N1c1ccc(F)cc1.
What is the InChIKey of (10aS)-2-(4-fluorophenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione?
The InChIKey is LRTVPWYBJBRVBP-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H13FN2O2/c18-13-5-7-14(8-6-13)20-16(21)15-9-11-3-1-2-4-12(11)10-19(15)17(20)22/h1-8,15H,9-10H2/t15-/m0/s1.
What are the key properties of (10aS)-2-(4-fluorophenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione?
(10aS)-2-(4-fluorophenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione has a molecular weight of 296.30 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10aS)-2-(4-fluorophenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione is sourced from PubChem (CID 7632350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).