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

C11H19N4OSe — CID 175679346

IUPAC—
SMILESCCCN1C(=O)N(CCC)C2C1N=C([Se])N2C
InChIInChI=1S/C11H19N4OSe/c1-4-6-14-8-9(13(3)10(17)12-8)15(7-5-2)11(14)16/h8-9H,4-7H2,1-3H3
InChIKeyTVLIGYBBWVMVTA-UHFFFAOYSA-N
MW302.26 g/mol
LogP0.67
Rot. Bonds4

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

4-methyl-1,3-dipropyl-5-selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one (PubChem CID 175679346) has the molecular formula C11H19N4OSe and a molecular weight of 302.26 g/mol.

Molecular Properties

Compound Name4-methyl-1,3-dipropyl-5-selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one
PubChem CID175679346
Molecular FormulaC11H19N4OSe
Molecular Weight302.26 g/mol
Exact Mass303.07
IUPAC Name—
SMILESCCCN1C(=O)N(CCC)C2C1N=C([Se])N2C
InChIInChI=1S/C11H19N4OSe/c1-4-6-14-8-9(13(3)10(17)12-8)15(7-5-2)11(14)16/h8-9H,4-7H2,1-3H3
InChIKeyTVLIGYBBWVMVTA-UHFFFAOYSA-N
XLogP0.67
TPSA39.15 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.26
LogP ≤ 50.67
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-Ethyl-1,3-dipropyl-5-selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one
CID 175679350
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-methyl-1,3-dipropyl-5-selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one?
The IUPAC name of 4-methyl-1,3-dipropyl-5-selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one (CID 175679346) is not available.
What is the SMILES notation for 4-methyl-1,3-dipropyl-5-selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one?
The canonical SMILES for 4-methyl-1,3-dipropyl-5-selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one is CCCN1C(=O)N(CCC)C2C1N=C([Se])N2C.
What is the InChIKey of 4-methyl-1,3-dipropyl-5-selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one?
The InChIKey is TVLIGYBBWVMVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N4OSe/c1-4-6-14-8-9(13(3)10(17)12-8)15(7-5-2)11(14)16/h8-9H,4-7H2,1-3H3.
What are the key properties of 4-methyl-1,3-dipropyl-5-selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one?
4-methyl-1,3-dipropyl-5-selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one has a molecular weight of 302.26 g/mol, XLogP of 0.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,3-dipropyl-5-selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one is sourced from PubChem (CID 175679346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).