4-ethyl-1,3-dimethyl-5-selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one

C8H13N4OSe — CID 175679336

IUPAC—
SMILESCCN1C([Se])=NC2C1N(C)C(=O)N2C
InChIInChI=1S/C8H13N4OSe/c1-4-12-6-5(9-7(12)14)10(2)8(13)11(6)3/h5-6H,4H2,1-3H3
InChIKeyLWKABQMLHKWOQY-UHFFFAOYSA-N
MW260.18 g/mol
LogP-0.50
Rot. Bonds1

About 4-ethyl-1,3-dimethyl-5-selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one

4-ethyl-1,3-dimethyl-5-selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one (PubChem CID 175679336) has the molecular formula C8H13N4OSe and a molecular weight of 260.18 g/mol.

Molecular Properties

Compound Name4-ethyl-1,3-dimethyl-5-selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one
PubChem CID175679336
Molecular FormulaC8H13N4OSe
Molecular Weight260.18 g/mol
Exact Mass261.03
IUPAC Name—
SMILESCCN1C([Se])=NC2C1N(C)C(=O)N2C
InChIInChI=1S/C8H13N4OSe/c1-4-12-6-5(9-7(12)14)10(2)8(13)11(6)3/h5-6H,4H2,1-3H3
InChIKeyLWKABQMLHKWOQY-UHFFFAOYSA-N
XLogP-0.50
TPSA39.15 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.18
LogP ≤ 5-0.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(Diethylamino)-8-ethyl-7,8-dihydroimidazo[1,2-a][1,3,5]triazin-4(6H)-one
CID 610464
2-(dimethylamino)-8-methyl-7,8-dihydroimidazo[1,2-a][1,3,5]triazin-4(6H)-one
CID 777157
2-Chloro-1,3,4,6-tetramethyl-5-oxo-octahydroimidazo[4,5-d]imidazolin-2-ylium chloride
CID 145829171
1,3,4,6-Tetramethyl-5-oxo-octahydroimidazo[4,5-d]imidazolin-2-ylium chloride
CID 145829175
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
4-Methyl-1,3-dipropyl-5-selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one
CID 175679346
4-Ethyl-1,3-dipropyl-5-selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one
CID 175679350
CID 155814292
CID 155814292
CID 164889577
CID 164889577
8-Cyano-N,N-diethylamino-6,7-dihydroimidazo[1,2-a]-1,3,5-triazin-4(8H)-one
CID 609674
5-Chloro-1,3,4,6-tetramethyl-3a,6a-dihydroimidazo[4,5-d]imidazol-4-ium-2-one
CID 145829172

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,3-dimethyl-5-selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one?
The IUPAC name of 4-ethyl-1,3-dimethyl-5-selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one (CID 175679336) is not available.
What is the SMILES notation for 4-ethyl-1,3-dimethyl-5-selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one?
The canonical SMILES for 4-ethyl-1,3-dimethyl-5-selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one is CCN1C([Se])=NC2C1N(C)C(=O)N2C.
What is the InChIKey of 4-ethyl-1,3-dimethyl-5-selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one?
The InChIKey is LWKABQMLHKWOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N4OSe/c1-4-12-6-5(9-7(12)14)10(2)8(13)11(6)3/h5-6H,4H2,1-3H3.
What are the key properties of 4-ethyl-1,3-dimethyl-5-selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one?
4-ethyl-1,3-dimethyl-5-selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one has a molecular weight of 260.18 g/mol, XLogP of -0.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,3-dimethyl-5-selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one is sourced from PubChem (CID 175679336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).