4-(4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl)butanoic acid

C10H16N4O4 — CID 4201838

IUPAC4-(4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl)butanoic acid
SMILESCN1C(=O)N(C)C2C1NC(=O)N2CCCC(=O)O
InChIInChI=1S/C10H16N4O4/c1-12-7-8(13(2)10(12)18)14(9(17)11-7)5-3-4-6(15)16/h7-8H,3-5H2,1-2H3,(H,11,17)(H,15,16)
InChIKeyFRNRDIKOHUHWGM-UHFFFAOYSA-N
MW256.26 g/mol
LogP-0.47
Rot. Bonds4

About 4-(4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl)butanoic acid

4-(4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl)butanoic acid (PubChem CID 4201838) has the molecular formula C10H16N4O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is 4-(4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl)butanoic acid.

Molecular Properties

Compound Name4-(4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl)butanoic acid
PubChem CID4201838
Molecular FormulaC10H16N4O4
Molecular Weight256.26 g/mol
Exact Mass256.12
IUPAC Name4-(4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl)butanoic acid
SMILESCN1C(=O)N(C)C2C1NC(=O)N2CCCC(=O)O
InChIInChI=1S/C10H16N4O4/c1-12-7-8(13(2)10(12)18)14(9(17)11-7)5-3-4-6(15)16/h7-8H,3-5H2,1-2H3,(H,11,17)(H,15,16)
InChIKeyFRNRDIKOHUHWGM-UHFFFAOYSA-N
XLogP-0.47
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl)butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl)butanoic acid?
The IUPAC name of 4-(4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl)butanoic acid (CID 4201838) is 4-(4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl)butanoic acid.
What is the SMILES notation for 4-(4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl)butanoic acid?
The canonical SMILES for 4-(4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl)butanoic acid is CN1C(=O)N(C)C2C1NC(=O)N2CCCC(=O)O.
What is the InChIKey of 4-(4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl)butanoic acid?
The InChIKey is FRNRDIKOHUHWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O4/c1-12-7-8(13(2)10(12)18)14(9(17)11-7)5-3-4-6(15)16/h7-8H,3-5H2,1-2H3,(H,11,17)(H,15,16).
What are the key properties of 4-(4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl)butanoic acid?
4-(4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl)butanoic acid has a molecular weight of 256.26 g/mol, XLogP of -0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl)butanoic acid is sourced from PubChem (CID 4201838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).