3,4-dimethyl-3a,6a-diphenyl-1,6-dihydroimidazo[4,5-d]imidazole-2,5-dione

C18H18N4O2 — CID 14398563

IUPAC3,4-dimethyl-3a,6a-diphenyl-1,6-dihydroimidazo[4,5-d]imidazole-2,5-dione
SMILESCN1C(=O)NC2(c3ccccc3)NC(=O)N(C)C12c1ccccc1
InChIInChI=1S/C18H18N4O2/c1-21-15(23)19-17(13-9-5-3-6-10-13)18(21,22(2)16(24)20-17)14-11-7-4-8-12-14/h3-12H,1-2H3,(H,19,23)(H,20,24)
InChIKeyIWVVDJMFAVRVMI-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.00
Rot. Bonds2

About 3,4-dimethyl-3a,6a-diphenyl-1,6-dihydroimidazo[4,5-d]imidazole-2,5-dione

3,4-dimethyl-3a,6a-diphenyl-1,6-dihydroimidazo[4,5-d]imidazole-2,5-dione (PubChem CID 14398563) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 3,4-dimethyl-3a,6a-diphenyl-1,6-dihydroimidazo[4,5-d]imidazole-2,5-dione.

Molecular Properties

Compound Name3,4-dimethyl-3a,6a-diphenyl-1,6-dihydroimidazo[4,5-d]imidazole-2,5-dione
PubChem CID14398563
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name3,4-dimethyl-3a,6a-diphenyl-1,6-dihydroimidazo[4,5-d]imidazole-2,5-dione
SMILESCN1C(=O)NC2(c3ccccc3)NC(=O)N(C)C12c1ccccc1
InChIInChI=1S/C18H18N4O2/c1-21-15(23)19-17(13-9-5-3-6-10-13)18(21,22(2)16(24)20-17)14-11-7-4-8-12-14/h3-12H,1-2H3,(H,19,23)(H,20,24)
InChIKeyIWVVDJMFAVRVMI-UHFFFAOYSA-N
XLogP2.00
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-3a,6a-diphenyl-1,6-dihydroimidazo[4,5-d]imidazole-2,5-dione?
The IUPAC name of 3,4-dimethyl-3a,6a-diphenyl-1,6-dihydroimidazo[4,5-d]imidazole-2,5-dione (CID 14398563) is 3,4-dimethyl-3a,6a-diphenyl-1,6-dihydroimidazo[4,5-d]imidazole-2,5-dione.
What is the SMILES notation for 3,4-dimethyl-3a,6a-diphenyl-1,6-dihydroimidazo[4,5-d]imidazole-2,5-dione?
The canonical SMILES for 3,4-dimethyl-3a,6a-diphenyl-1,6-dihydroimidazo[4,5-d]imidazole-2,5-dione is CN1C(=O)NC2(c3ccccc3)NC(=O)N(C)C12c1ccccc1.
What is the InChIKey of 3,4-dimethyl-3a,6a-diphenyl-1,6-dihydroimidazo[4,5-d]imidazole-2,5-dione?
The InChIKey is IWVVDJMFAVRVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-21-15(23)19-17(13-9-5-3-6-10-13)18(21,22(2)16(24)20-17)14-11-7-4-8-12-14/h3-12H,1-2H3,(H,19,23)(H,20,24).
What are the key properties of 3,4-dimethyl-3a,6a-diphenyl-1,6-dihydroimidazo[4,5-d]imidazole-2,5-dione?
3,4-dimethyl-3a,6a-diphenyl-1,6-dihydroimidazo[4,5-d]imidazole-2,5-dione has a molecular weight of 322.37 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-3a,6a-diphenyl-1,6-dihydroimidazo[4,5-d]imidazole-2,5-dione is sourced from PubChem (CID 14398563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).