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

C12H21N4OSe — CID 175679350

IUPAC—
SMILESCCCN1C(=O)N(CCC)C2C1N=C([Se])N2CC
InChIInChI=1S/C12H21N4OSe/c1-4-7-15-9-10(14(6-3)11(18)13-9)16(8-5-2)12(15)17/h9-10H,4-8H2,1-3H3
InChIKeyHLPQPFBNJAVJQX-UHFFFAOYSA-N
MW316.29 g/mol
LogP1.06
Rot. Bonds5

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

4-ethyl-1,3-dipropyl-5-selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one (PubChem CID 175679350) has the molecular formula C12H21N4OSe and a molecular weight of 316.29 g/mol.

Molecular Properties

Compound Name4-ethyl-1,3-dipropyl-5-selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one
PubChem CID175679350
Molecular FormulaC12H21N4OSe
Molecular Weight316.29 g/mol
Exact Mass317.09
IUPAC Name—
SMILESCCCN1C(=O)N(CCC)C2C1N=C([Se])N2CC
InChIInChI=1S/C12H21N4OSe/c1-4-7-15-9-10(14(6-3)11(18)13-9)16(8-5-2)12(15)17/h9-10H,4-8H2,1-3H3
InChIKeyHLPQPFBNJAVJQX-UHFFFAOYSA-N
XLogP1.06
TPSA39.15 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.29
LogP ≤ 51.06
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

4-Methyl-1-propyl-5-selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one
CID 175679335
4-Ethyl-1,3-dimethyl-5-selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one
CID 175679336
4-Methyl-1,3-dipropyl-5-selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one
CID 175679346
CID 164889577
CID 164889577
4,6-Dimethyl-5-(propylamino)-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazol-4-ium-2-one
CID 137530292
1,3,4,6-Tetramethyl-3a,6a-dihydroimidazo[4,5-d]imidazol-3-ium-5-one
CID 145829176

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,3-dipropyl-5-selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one?
The IUPAC name of 4-ethyl-1,3-dipropyl-5-selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one (CID 175679350) is not available.
What is the SMILES notation for 4-ethyl-1,3-dipropyl-5-selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one?
The canonical SMILES for 4-ethyl-1,3-dipropyl-5-selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one is CCCN1C(=O)N(CCC)C2C1N=C([Se])N2CC.
What is the InChIKey of 4-ethyl-1,3-dipropyl-5-selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one?
The InChIKey is HLPQPFBNJAVJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N4OSe/c1-4-7-15-9-10(14(6-3)11(18)13-9)16(8-5-2)12(15)17/h9-10H,4-8H2,1-3H3.
What are the key properties of 4-ethyl-1,3-dipropyl-5-selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one?
4-ethyl-1,3-dipropyl-5-selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one has a molecular weight of 316.29 g/mol, XLogP of 1.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,3-dipropyl-5-selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one is sourced from PubChem (CID 175679350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).