1,5-diethyl-4-imino-3-methylimidazolidin-2-one

C8H15N3O — CID 167238533

IUPAC1,5-diethyl-4-imino-3-methylimidazolidin-2-one
SMILES[H]/N=C1/C(CC)N(CC)C(=O)N1C
InChIInChI=1S/C8H15N3O/c1-4-6-7(9)10(3)8(12)11(6)5-2/h6,9H,4-5H2,1-3H3/b9-7-
InChIKeyIIMGFBARKUBLAD-CLFYSBASSA-N
MW169.23 g/mol
LogP1.13
Rot. Bonds2

About 1,5-diethyl-4-imino-3-methylimidazolidin-2-one

1,5-diethyl-4-imino-3-methylimidazolidin-2-one (PubChem CID 167238533) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 1,5-diethyl-4-imino-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1,5-diethyl-4-imino-3-methylimidazolidin-2-one
PubChem CID167238533
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name1,5-diethyl-4-imino-3-methylimidazolidin-2-one
SMILES[H]/N=C1/C(CC)N(CC)C(=O)N1C
InChIInChI=1S/C8H15N3O/c1-4-6-7(9)10(3)8(12)11(6)5-2/h6,9H,4-5H2,1-3H3/b9-7-
InChIKeyIIMGFBARKUBLAD-CLFYSBASSA-N
XLogP1.13
TPSA47.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-imino-5-methyl-1,3-dipropylimidazolidin-2-one
CID 156894014
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CID 123707491
1-ethyl-4-imino-5-pentylimidazolidin-2-one
CID 138389280
5-[1,2-bis(benzenesulfonyl)ethyl]-4,6-diimino-1,3-dimethyl-1,3-diazinan-2-one
CID 44516733
(3aR,6aR)-4,6-diethyl-2,2-dioxo-1,3,3a,6a-tetrahydroimidazo[4,5-c][1,2,5]thiadiazol-5-one
CID 1492482
(4S,5S)-1-ethyl-3,3,4,5-tetramethylpyrrolidin-2-one
CID 59868894
3-imino-2-methyl-3a,4,5,6,7,7a-hexahydroisoindol-1-one
CID 90994195
5-ethyl-1,3-dimethyl-2-nitrotriazinan-4-imine
CID 151812979
1,3-diethyl-4,5-dimethoxyimidazolidin-2-one
CID 143815400
1,4-diethyl-3-methylazetidin-2-one
CID 123697315
ethyl 2-(3-ethyl-5-imino-2-oxoimidazolidin-4-yl)acetate
CID 138389539
1,3-diethyl-6-hydroxy-5-imino-2-sulfanyl-1,3-diazinan-4-one
CID 141152483

Frequently Asked Questions

What is the IUPAC name of 1,5-diethyl-4-imino-3-methylimidazolidin-2-one?
The IUPAC name of 1,5-diethyl-4-imino-3-methylimidazolidin-2-one (CID 167238533) is 1,5-diethyl-4-imino-3-methylimidazolidin-2-one.
What is the SMILES notation for 1,5-diethyl-4-imino-3-methylimidazolidin-2-one?
The canonical SMILES for 1,5-diethyl-4-imino-3-methylimidazolidin-2-one is [H]/N=C1/C(CC)N(CC)C(=O)N1C.
What is the InChIKey of 1,5-diethyl-4-imino-3-methylimidazolidin-2-one?
The InChIKey is IIMGFBARKUBLAD-CLFYSBASSA-N. The full InChI is InChI=1S/C8H15N3O/c1-4-6-7(9)10(3)8(12)11(6)5-2/h6,9H,4-5H2,1-3H3/b9-7-.
What are the key properties of 1,5-diethyl-4-imino-3-methylimidazolidin-2-one?
1,5-diethyl-4-imino-3-methylimidazolidin-2-one has a molecular weight of 169.23 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diethyl-4-imino-3-methylimidazolidin-2-one is sourced from PubChem (CID 167238533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).