1,3-dibenzyl-6,6a-dihydro-3aH-furo[3,4-d]imidazole-2,4-dione

C19H18N2O3 — CID 11255724

IUPAC1,3-dibenzyl-6,6a-dihydro-3aH-furo[3,4-d]imidazole-2,4-dione
SMILESO=C1OCC2C1N(Cc1ccccc1)C(=O)N2Cc1ccccc1
InChIInChI=1S/C19H18N2O3/c22-18-17-16(13-24-18)20(11-14-7-3-1-4-8-14)19(23)21(17)12-15-9-5-2-6-10-15/h1-10,16-17H,11-13H2
InChIKeyFGFSEMWCZBVRHG-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.42
Rot. Bonds4

About 1,3-dibenzyl-6,6a-dihydro-3aH-furo[3,4-d]imidazole-2,4-dione

1,3-dibenzyl-6,6a-dihydro-3aH-furo[3,4-d]imidazole-2,4-dione (PubChem CID 11255724) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 1,3-dibenzyl-6,6a-dihydro-3aH-furo[3,4-d]imidazole-2,4-dione.

Molecular Properties

Compound Name1,3-dibenzyl-6,6a-dihydro-3aH-furo[3,4-d]imidazole-2,4-dione
PubChem CID11255724
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name1,3-dibenzyl-6,6a-dihydro-3aH-furo[3,4-d]imidazole-2,4-dione
SMILESO=C1OCC2C1N(Cc1ccccc1)C(=O)N2Cc1ccccc1
InChIInChI=1S/C19H18N2O3/c22-18-17-16(13-24-18)20(11-14-7-3-1-4-8-14)19(23)21(17)12-15-9-5-2-6-10-15/h1-10,16-17H,11-13H2
InChIKeyFGFSEMWCZBVRHG-UHFFFAOYSA-N
XLogP2.42
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dibenzyl-6,6a-dihydro-3aH-furo[3,4-d]imidazole-2,4-dione?
The IUPAC name of 1,3-dibenzyl-6,6a-dihydro-3aH-furo[3,4-d]imidazole-2,4-dione (CID 11255724) is 1,3-dibenzyl-6,6a-dihydro-3aH-furo[3,4-d]imidazole-2,4-dione.
What is the SMILES notation for 1,3-dibenzyl-6,6a-dihydro-3aH-furo[3,4-d]imidazole-2,4-dione?
The canonical SMILES for 1,3-dibenzyl-6,6a-dihydro-3aH-furo[3,4-d]imidazole-2,4-dione is O=C1OCC2C1N(Cc1ccccc1)C(=O)N2Cc1ccccc1.
What is the InChIKey of 1,3-dibenzyl-6,6a-dihydro-3aH-furo[3,4-d]imidazole-2,4-dione?
The InChIKey is FGFSEMWCZBVRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c22-18-17-16(13-24-18)20(11-14-7-3-1-4-8-14)19(23)21(17)12-15-9-5-2-6-10-15/h1-10,16-17H,11-13H2.
What are the key properties of 1,3-dibenzyl-6,6a-dihydro-3aH-furo[3,4-d]imidazole-2,4-dione?
1,3-dibenzyl-6,6a-dihydro-3aH-furo[3,4-d]imidazole-2,4-dione has a molecular weight of 322.36 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibenzyl-6,6a-dihydro-3aH-furo[3,4-d]imidazole-2,4-dione is sourced from PubChem (CID 11255724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).