(3aS,6aR)-3,4,6-trimethyl-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione

C7H12N4O2 — CID 783880

IUPAC(3aS,6aR)-3,4,6-trimethyl-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione
SMILESCN1C(=O)N[C@H]2[C@@H]1N(C)C(=O)N2C
InChIInChI=1S/C7H12N4O2/c1-9-4-5(11(3)7(9)13)10(2)6(12)8-4/h4-5H,1-3H3,(H,8,12)/t4-,5+/m1/s1
InChIKeyGBENGGJNKCCSFH-UHNVWZDZSA-N
MW184.20 g/mol
LogP-0.71
Rot. Bonds

About (3aS,6aR)-3,4,6-trimethyl-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione

(3aS,6aR)-3,4,6-trimethyl-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione (PubChem CID 783880) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is (3aS,6aR)-3,4,6-trimethyl-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione.

Molecular Properties

Compound Name(3aS,6aR)-3,4,6-trimethyl-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione
PubChem CID783880
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name(3aS,6aR)-3,4,6-trimethyl-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione
SMILESCN1C(=O)N[C@H]2[C@@H]1N(C)C(=O)N2C
InChIInChI=1S/C7H12N4O2/c1-9-4-5(11(3)7(9)13)10(2)6(12)8-4/h4-5H,1-3H3,(H,8,12)/t4-,5+/m1/s1
InChIKeyGBENGGJNKCCSFH-UHNVWZDZSA-N
XLogP-0.71
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-3,4,6-trimethyl-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione?
The IUPAC name of (3aS,6aR)-3,4,6-trimethyl-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione (CID 783880) is (3aS,6aR)-3,4,6-trimethyl-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione.
What is the SMILES notation for (3aS,6aR)-3,4,6-trimethyl-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione?
The canonical SMILES for (3aS,6aR)-3,4,6-trimethyl-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione is CN1C(=O)N[C@H]2[C@@H]1N(C)C(=O)N2C.
What is the InChIKey of (3aS,6aR)-3,4,6-trimethyl-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione?
The InChIKey is GBENGGJNKCCSFH-UHNVWZDZSA-N. The full InChI is InChI=1S/C7H12N4O2/c1-9-4-5(11(3)7(9)13)10(2)6(12)8-4/h4-5H,1-3H3,(H,8,12)/t4-,5+/m1/s1.
What are the key properties of (3aS,6aR)-3,4,6-trimethyl-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione?
(3aS,6aR)-3,4,6-trimethyl-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione has a molecular weight of 184.20 g/mol, XLogP of -0.71, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-3,4,6-trimethyl-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione is sourced from PubChem (CID 783880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).