1-(t-butyl)-4-methyl-5-selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one

C9H15N4OSe — CID 175679339

IUPAC—
SMILESCN1C([Se])=NC2C1NC(=O)N2C(C)(C)C
InChIInChI=1S/C9H15N4OSe/c1-9(2,3)13-6-5(10-7(13)14)12(4)8(15)11-6/h5-6H,1-4H3,(H,10,14)
InChIKeySPKUBUHXBDEGEK-UHFFFAOYSA-N
MW274.21 g/mol
LogP-0.07
Rot. Bonds

About 1-(t-butyl)-4-methyl-5-selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one

1-(t-butyl)-4-methyl-5-selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one (PubChem CID 175679339) has the molecular formula C9H15N4OSe and a molecular weight of 274.21 g/mol.

Molecular Properties

Compound Name1-(t-butyl)-4-methyl-5-selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one
PubChem CID175679339
Molecular FormulaC9H15N4OSe
Molecular Weight274.21 g/mol
Exact Mass275.04
IUPAC Name—
SMILESCN1C([Se])=NC2C1NC(=O)N2C(C)(C)C
InChIInChI=1S/C9H15N4OSe/c1-9(2,3)13-6-5(10-7(13)14)12(4)8(15)11-6/h5-6H,1-4H3,(H,10,14)
InChIKeySPKUBUHXBDEGEK-UHFFFAOYSA-N
XLogP-0.07
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.21
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1-Ethyl-4-methyl-5-selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one
CID 175679333
4-Methyl-1-propyl-5-selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one
CID 175679335
6-(t-Butyl)-3-methyl-2-(methylthio)-5-oxo-3,3a,4,5,6,6a-hexahydroimidazo[4,5-d]imidazol-1-ium iodide
CID 175679344
CID 155814292
CID 155814292
CID 164889577
CID 164889577
(5R)-1-tert-butyl-5-(tert-butylamino)-4-tert-butyliminoimidazolidin-2-one
CID 135937500
(5S)-1-tert-butyl-5-(tert-butylamino)-4-tert-butyliminoimidazolidin-2-one
CID 135937501
4,6-Dimethyl-5-(propylamino)-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazol-4-ium-2-one
CID 137530292
(3aS,6aS)-1,3,4,6-tetramethyl-2-(methylamino)-3a,6a-dihydroimidazo[4,5-d]imidazol-3-ium-5-one
CID 139201804
3-Tert-butyl-6-methyl-5-methylsulfanyl-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazol-6-ium-2-one
CID 175679345

Frequently Asked Questions

What is the IUPAC name of 1-(t-butyl)-4-methyl-5-selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one?
The IUPAC name of 1-(t-butyl)-4-methyl-5-selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one (CID 175679339) is not available.
What is the SMILES notation for 1-(t-butyl)-4-methyl-5-selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one?
The canonical SMILES for 1-(t-butyl)-4-methyl-5-selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one is CN1C([Se])=NC2C1NC(=O)N2C(C)(C)C.
What is the InChIKey of 1-(t-butyl)-4-methyl-5-selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one?
The InChIKey is SPKUBUHXBDEGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N4OSe/c1-9(2,3)13-6-5(10-7(13)14)12(4)8(15)11-6/h5-6H,1-4H3,(H,10,14).
What are the key properties of 1-(t-butyl)-4-methyl-5-selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one?
1-(t-butyl)-4-methyl-5-selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one has a molecular weight of 274.21 g/mol, XLogP of -0.07, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(t-butyl)-4-methyl-5-selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one is sourced from PubChem (CID 175679339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).