1,3-bis(4-methylphenyl)-6,6a-dihydro-3aH-furo[3,4-d]imidazole-2,4-dione

C19H18N2O3 — CID 18008486

IUPAC1,3-bis(4-methylphenyl)-6,6a-dihydro-3aH-furo[3,4-d]imidazole-2,4-dione
SMILESCc1ccc(N2C(=O)N(c3ccc(C)cc3)C3C(=O)OCC32)cc1
InChIInChI=1S/C19H18N2O3/c1-12-3-7-14(8-4-12)20-16-11-24-18(22)17(16)21(19(20)23)15-9-5-13(2)6-10-15/h3-10,16-17H,11H2,1-2H3
InChIKeyWWMXLWGLEKMOTJ-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.04
Rot. Bonds2

About 1,3-bis(4-methylphenyl)-6,6a-dihydro-3aH-furo[3,4-d]imidazole-2,4-dione

1,3-bis(4-methylphenyl)-6,6a-dihydro-3aH-furo[3,4-d]imidazole-2,4-dione (PubChem CID 18008486) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 1,3-bis(4-methylphenyl)-6,6a-dihydro-3aH-furo[3,4-d]imidazole-2,4-dione.

Molecular Properties

Compound Name1,3-bis(4-methylphenyl)-6,6a-dihydro-3aH-furo[3,4-d]imidazole-2,4-dione
PubChem CID18008486
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name1,3-bis(4-methylphenyl)-6,6a-dihydro-3aH-furo[3,4-d]imidazole-2,4-dione
SMILESCc1ccc(N2C(=O)N(c3ccc(C)cc3)C3C(=O)OCC32)cc1
InChIInChI=1S/C19H18N2O3/c1-12-3-7-14(8-4-12)20-16-11-24-18(22)17(16)21(19(20)23)15-9-5-13(2)6-10-15/h3-10,16-17H,11H2,1-2H3
InChIKeyWWMXLWGLEKMOTJ-UHFFFAOYSA-N
XLogP3.04
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4-methylphenyl)-6,6a-dihydro-3aH-furo[3,4-d]imidazole-2,4-dione?
The IUPAC name of 1,3-bis(4-methylphenyl)-6,6a-dihydro-3aH-furo[3,4-d]imidazole-2,4-dione (CID 18008486) is 1,3-bis(4-methylphenyl)-6,6a-dihydro-3aH-furo[3,4-d]imidazole-2,4-dione.
What is the SMILES notation for 1,3-bis(4-methylphenyl)-6,6a-dihydro-3aH-furo[3,4-d]imidazole-2,4-dione?
The canonical SMILES for 1,3-bis(4-methylphenyl)-6,6a-dihydro-3aH-furo[3,4-d]imidazole-2,4-dione is Cc1ccc(N2C(=O)N(c3ccc(C)cc3)C3C(=O)OCC32)cc1.
What is the InChIKey of 1,3-bis(4-methylphenyl)-6,6a-dihydro-3aH-furo[3,4-d]imidazole-2,4-dione?
The InChIKey is WWMXLWGLEKMOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-12-3-7-14(8-4-12)20-16-11-24-18(22)17(16)21(19(20)23)15-9-5-13(2)6-10-15/h3-10,16-17H,11H2,1-2H3.
What are the key properties of 1,3-bis(4-methylphenyl)-6,6a-dihydro-3aH-furo[3,4-d]imidazole-2,4-dione?
1,3-bis(4-methylphenyl)-6,6a-dihydro-3aH-furo[3,4-d]imidazole-2,4-dione has a molecular weight of 322.36 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4-methylphenyl)-6,6a-dihydro-3aH-furo[3,4-d]imidazole-2,4-dione is sourced from PubChem (CID 18008486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).