3,5-ditert-butyl-3a,6,7,7a-tetrahydro-1H-imidazo[4,5-c]pyridine-2,4-dione

C14H25N3O2 — CID 59067699

IUPAC3,5-ditert-butyl-3a,6,7,7a-tetrahydro-1H-imidazo[4,5-c]pyridine-2,4-dione
SMILESCC(C)(C)N1CCC2NC(=O)N(C(C)(C)C)C2C1=O
InChIInChI=1S/C14H25N3O2/c1-13(2,3)16-8-7-9-10(11(16)18)17(12(19)15-9)14(4,5)6/h9-10H,7-8H2,1-6H3,(H,15,19)
InChIKeyWRUCACPOKJXLTB-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.58
Rot. Bonds

About 3,5-ditert-butyl-3a,6,7,7a-tetrahydro-1H-imidazo[4,5-c]pyridine-2,4-dione

3,5-ditert-butyl-3a,6,7,7a-tetrahydro-1H-imidazo[4,5-c]pyridine-2,4-dione (PubChem CID 59067699) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 3,5-ditert-butyl-3a,6,7,7a-tetrahydro-1H-imidazo[4,5-c]pyridine-2,4-dione.

Molecular Properties

Compound Name3,5-ditert-butyl-3a,6,7,7a-tetrahydro-1H-imidazo[4,5-c]pyridine-2,4-dione
PubChem CID59067699
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name3,5-ditert-butyl-3a,6,7,7a-tetrahydro-1H-imidazo[4,5-c]pyridine-2,4-dione
SMILESCC(C)(C)N1CCC2NC(=O)N(C(C)(C)C)C2C1=O
InChIInChI=1S/C14H25N3O2/c1-13(2,3)16-8-7-9-10(11(16)18)17(12(19)15-9)14(4,5)6/h9-10H,7-8H2,1-6H3,(H,15,19)
InChIKeyWRUCACPOKJXLTB-UHFFFAOYSA-N
XLogP1.58
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,5-ditert-butyl-3a,6,7,7a-tetrahydro-1H-imidazo[4,5-c]pyridine-2,4-dione with MolForge

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Related Compounds

Gancidin W
CID 7074739
3-Isobutylhexahydropyrrolo[1,2-a]pyrazine-1,4-dione
CID 102892
cyclo(L-Pro-L-Val)
CID 6992261
Pyrrolo(1,2-a)pyrazine-1,4-dione, hexahydro-3-(1-methylethyl)-
CID 98951
3-Methyl-octahydropyrrolo(1,2-a)piperazine-1,4-dione
CID 6428987
(3R,8aS)-Hexahydro-3-(2-methylpropyl)pyrrolo(1,2-a)pyrazine-1,4-dione
CID 927565
3-sec-Butyl-pyrrolopiperazine-1,4-dione
CID 6428988
Cyclo(Ile-Pro)
CID 13654640
(3S,8AR)-3-Isobutylhexahydropyrrolo[1,2-a]pyrazine-1,4-dione
CID 7074740
Cyclo(D)-Pro-(D)-Leu
CID 927566
Cyclo(L-Pro-L-Ile)
CID 9990707
Cyclo(-D-Ala-L-Pro)
CID 11902953

Frequently Asked Questions

What is the IUPAC name of 3,5-ditert-butyl-3a,6,7,7a-tetrahydro-1H-imidazo[4,5-c]pyridine-2,4-dione?
The IUPAC name of 3,5-ditert-butyl-3a,6,7,7a-tetrahydro-1H-imidazo[4,5-c]pyridine-2,4-dione (CID 59067699) is 3,5-ditert-butyl-3a,6,7,7a-tetrahydro-1H-imidazo[4,5-c]pyridine-2,4-dione.
What is the SMILES notation for 3,5-ditert-butyl-3a,6,7,7a-tetrahydro-1H-imidazo[4,5-c]pyridine-2,4-dione?
The canonical SMILES for 3,5-ditert-butyl-3a,6,7,7a-tetrahydro-1H-imidazo[4,5-c]pyridine-2,4-dione is CC(C)(C)N1CCC2NC(=O)N(C(C)(C)C)C2C1=O.
What is the InChIKey of 3,5-ditert-butyl-3a,6,7,7a-tetrahydro-1H-imidazo[4,5-c]pyridine-2,4-dione?
The InChIKey is WRUCACPOKJXLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-13(2,3)16-8-7-9-10(11(16)18)17(12(19)15-9)14(4,5)6/h9-10H,7-8H2,1-6H3,(H,15,19).
What are the key properties of 3,5-ditert-butyl-3a,6,7,7a-tetrahydro-1H-imidazo[4,5-c]pyridine-2,4-dione?
3,5-ditert-butyl-3a,6,7,7a-tetrahydro-1H-imidazo[4,5-c]pyridine-2,4-dione has a molecular weight of 267.37 g/mol, XLogP of 1.58, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-ditert-butyl-3a,6,7,7a-tetrahydro-1H-imidazo[4,5-c]pyridine-2,4-dione is sourced from PubChem (CID 59067699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).