4-amino-1-(2-methoxyethyl)-5-(2-methoxy-2-methylpropyl)-5-methylimidazol-2-one

C12H23N3O3 — CID 79967104

IUPAC4-amino-1-(2-methoxyethyl)-5-(2-methoxy-2-methylpropyl)-5-methylimidazol-2-one
SMILESCOCCN1C(=O)N=C(N)C1(C)CC(C)(C)OC
InChIInChI=1S/C12H23N3O3/c1-11(2,18-5)8-12(3)9(13)14-10(16)15(12)6-7-17-4/h6-8H2,1-5H3,(H2,13,14,16)
InChIKeyHQWDVURTZIQAKI-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.00
Rot. Bonds6

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

4-amino-1-(2-methoxyethyl)-5-(2-methoxy-2-methylpropyl)-5-methylimidazol-2-one (PubChem CID 79967104) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-amino-1-(2-methoxyethyl)-5-(2-methoxy-2-methylpropyl)-5-methylimidazol-2-one.

Molecular Properties

Compound Name4-amino-1-(2-methoxyethyl)-5-(2-methoxy-2-methylpropyl)-5-methylimidazol-2-one
PubChem CID79967104
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name4-amino-1-(2-methoxyethyl)-5-(2-methoxy-2-methylpropyl)-5-methylimidazol-2-one
SMILESCOCCN1C(=O)N=C(N)C1(C)CC(C)(C)OC
InChIInChI=1S/C12H23N3O3/c1-11(2,18-5)8-12(3)9(13)14-10(16)15(12)6-7-17-4/h6-8H2,1-5H3,(H2,13,14,16)
InChIKeyHQWDVURTZIQAKI-UHFFFAOYSA-N
XLogP1.00
TPSA77.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-5-ethyl-1-(2-methoxyethyl)-5-methylimidazol-2-one
CID 79967094
4-amino-5-heptyl-1-(2-methoxyethyl)-5-methylimidazol-2-one
CID 79968331
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-1'-(2-methoxyethyl)spiro[adamantane-2,5'-imidazole]-2'-one
CID 79972355
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)-7-methyl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79968039
4'-amino-1'-(2-methoxyethyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazole]-2'-one
CID 79968231
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)-1-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazole]-2'-one
CID 115420968
4-amino-5,5-dimethyl-1-propylimidazol-2-one
CID 79959875

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-methoxyethyl)-5-(2-methoxy-2-methylpropyl)-5-methylimidazol-2-one?
The IUPAC name of 4-amino-1-(2-methoxyethyl)-5-(2-methoxy-2-methylpropyl)-5-methylimidazol-2-one (CID 79967104) is 4-amino-1-(2-methoxyethyl)-5-(2-methoxy-2-methylpropyl)-5-methylimidazol-2-one.
What is the SMILES notation for 4-amino-1-(2-methoxyethyl)-5-(2-methoxy-2-methylpropyl)-5-methylimidazol-2-one?
The canonical SMILES for 4-amino-1-(2-methoxyethyl)-5-(2-methoxy-2-methylpropyl)-5-methylimidazol-2-one is COCCN1C(=O)N=C(N)C1(C)CC(C)(C)OC.
What is the InChIKey of 4-amino-1-(2-methoxyethyl)-5-(2-methoxy-2-methylpropyl)-5-methylimidazol-2-one?
The InChIKey is HQWDVURTZIQAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-11(2,18-5)8-12(3)9(13)14-10(16)15(12)6-7-17-4/h6-8H2,1-5H3,(H2,13,14,16).
What are the key properties of 4-amino-1-(2-methoxyethyl)-5-(2-methoxy-2-methylpropyl)-5-methylimidazol-2-one?
4-amino-1-(2-methoxyethyl)-5-(2-methoxy-2-methylpropyl)-5-methylimidazol-2-one has a molecular weight of 257.33 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-methoxyethyl)-5-(2-methoxy-2-methylpropyl)-5-methylimidazol-2-one is sourced from PubChem (CID 79967104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).