4-amino-5-ethyl-1-(2-methoxyethyl)-5-methylimidazol-2-one

C9H17N3O2 — CID 79967094

IUPAC4-amino-5-ethyl-1-(2-methoxyethyl)-5-methylimidazol-2-one
SMILESCCC1(C)C(N)=NC(=O)N1CCOC
InChIInChI=1S/C9H17N3O2/c1-4-9(2)7(10)11-8(13)12(9)5-6-14-3/h4-6H2,1-3H3,(H2,10,11,13)
InChIKeyKMIOUDRGFPNRPK-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.59
Rot. Bonds4

About 4-amino-5-ethyl-1-(2-methoxyethyl)-5-methylimidazol-2-one

4-amino-5-ethyl-1-(2-methoxyethyl)-5-methylimidazol-2-one (PubChem CID 79967094) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 4-amino-5-ethyl-1-(2-methoxyethyl)-5-methylimidazol-2-one.

Molecular Properties

Compound Name4-amino-5-ethyl-1-(2-methoxyethyl)-5-methylimidazol-2-one
PubChem CID79967094
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name4-amino-5-ethyl-1-(2-methoxyethyl)-5-methylimidazol-2-one
SMILESCCC1(C)C(N)=NC(=O)N1CCOC
InChIInChI=1S/C9H17N3O2/c1-4-9(2)7(10)11-8(13)12(9)5-6-14-3/h4-6H2,1-3H3,(H2,10,11,13)
InChIKeyKMIOUDRGFPNRPK-UHFFFAOYSA-N
XLogP0.59
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-5-heptyl-1-(2-methoxyethyl)-5-methylimidazol-2-one
CID 79968331
4-amino-1-(2-methoxyethyl)-5-(2-methoxy-2-methylpropyl)-5-methylimidazol-2-one
CID 79967104
4-amino-5-butan-2-yl-1-(2-methoxyethyl)-5-methylimidazol-2-one
CID 79967017
4-amino-1-(2-methoxyethyl)-1,3-diazaspiro[4.6]undec-3-en-2-one
CID 79966909
4-amino-8-ethyl-1-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one
CID 79967190
8-amino-2-ethoxy-5-(2-methoxyethyl)-5,7-diazaspiro[3.4]oct-7-en-6-one
CID 106824969
4'-amino-1'-(2-methoxyethyl)spiro[adamantane-2,5'-imidazole]-2'-one
CID 79972355
4-amino-6-ethyl-1-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one
CID 114510778
4-amino-1-(2-methoxyethyl)-7-methyl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79968039
4-amino-5,5-dimethyl-1-propylimidazol-2-one
CID 79959875
4'-amino-1'-(2-methoxyethyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazole]-2'-one
CID 79968231
4'-amino-1'-(2-methoxyethyl)-1-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazole]-2'-one
CID 115420968

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-ethyl-1-(2-methoxyethyl)-5-methylimidazol-2-one?
The IUPAC name of 4-amino-5-ethyl-1-(2-methoxyethyl)-5-methylimidazol-2-one (CID 79967094) is 4-amino-5-ethyl-1-(2-methoxyethyl)-5-methylimidazol-2-one.
What is the SMILES notation for 4-amino-5-ethyl-1-(2-methoxyethyl)-5-methylimidazol-2-one?
The canonical SMILES for 4-amino-5-ethyl-1-(2-methoxyethyl)-5-methylimidazol-2-one is CCC1(C)C(N)=NC(=O)N1CCOC.
What is the InChIKey of 4-amino-5-ethyl-1-(2-methoxyethyl)-5-methylimidazol-2-one?
The InChIKey is KMIOUDRGFPNRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-4-9(2)7(10)11-8(13)12(9)5-6-14-3/h4-6H2,1-3H3,(H2,10,11,13).
What are the key properties of 4-amino-5-ethyl-1-(2-methoxyethyl)-5-methylimidazol-2-one?
4-amino-5-ethyl-1-(2-methoxyethyl)-5-methylimidazol-2-one has a molecular weight of 199.25 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-ethyl-1-(2-methoxyethyl)-5-methylimidazol-2-one is sourced from PubChem (CID 79967094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).