4-amino-5-butyl-5-ethyl-1-propylimidazol-2-one

C12H23N3O — CID 79960861

IUPAC4-amino-5-butyl-5-ethyl-1-propylimidazol-2-one
SMILESCCCCC1(CC)C(N)=NC(=O)N1CCC
InChIInChI=1S/C12H23N3O/c1-4-7-8-12(6-3)10(13)14-11(16)15(12)9-5-2/h4-9H2,1-3H3,(H2,13,14,16)
InChIKeyXIGSWUDAWXWPDG-UHFFFAOYSA-N
MW225.34 g/mol
LogP2.53
Rot. Bonds6

About 4-amino-5-butyl-5-ethyl-1-propylimidazol-2-one

4-amino-5-butyl-5-ethyl-1-propylimidazol-2-one (PubChem CID 79960861) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 4-amino-5-butyl-5-ethyl-1-propylimidazol-2-one.

Molecular Properties

Compound Name4-amino-5-butyl-5-ethyl-1-propylimidazol-2-one
PubChem CID79960861
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name4-amino-5-butyl-5-ethyl-1-propylimidazol-2-one
SMILESCCCCC1(CC)C(N)=NC(=O)N1CCC
InChIInChI=1S/C12H23N3O/c1-4-7-8-12(6-3)10(13)14-11(16)15(12)9-5-2/h4-9H2,1-3H3,(H2,13,14,16)
InChIKeyXIGSWUDAWXWPDG-UHFFFAOYSA-N
XLogP2.53
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-5,5-dimethyl-1-propylimidazol-2-one
CID 79959875
4-amino-1-prop-2-enyl-5,5-dipropylimidazol-2-one
CID 79968076
4-amino-1-propyl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79960085
4-amino-5,5-dipropyl-1-prop-2-ynylimidazol-2-one
CID 79966977
4-amino-5-ethyl-5-(2-methylbutyl)-1-prop-2-enylimidazol-2-one
CID 79966947
4-amino-5-heptyl-1-(2-methoxyethyl)-5-methylimidazol-2-one
CID 79968331
4-amino-1-propyl-9-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79961225
4-amino-5-[(4-fluorophenyl)methyl]-5-methyl-1-propylimidazol-2-one
CID 114835184
4-amino-5-ethyl-1-(2-methoxyethyl)-5-methylimidazol-2-one
CID 79967094
4-amino-1-propyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79960281
4-amino-5-cyclopropyl-1,5-diethylimidazol-2-one
CID 79961990
2-amino-5-butyl-5-methyl-1,3-oxazol-4-one
CID 131091998

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-butyl-5-ethyl-1-propylimidazol-2-one?
The IUPAC name of 4-amino-5-butyl-5-ethyl-1-propylimidazol-2-one (CID 79960861) is 4-amino-5-butyl-5-ethyl-1-propylimidazol-2-one.
What is the SMILES notation for 4-amino-5-butyl-5-ethyl-1-propylimidazol-2-one?
The canonical SMILES for 4-amino-5-butyl-5-ethyl-1-propylimidazol-2-one is CCCCC1(CC)C(N)=NC(=O)N1CCC.
What is the InChIKey of 4-amino-5-butyl-5-ethyl-1-propylimidazol-2-one?
The InChIKey is XIGSWUDAWXWPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-4-7-8-12(6-3)10(13)14-11(16)15(12)9-5-2/h4-9H2,1-3H3,(H2,13,14,16).
What are the key properties of 4-amino-5-butyl-5-ethyl-1-propylimidazol-2-one?
4-amino-5-butyl-5-ethyl-1-propylimidazol-2-one has a molecular weight of 225.34 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-butyl-5-ethyl-1-propylimidazol-2-one is sourced from PubChem (CID 79960861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).