4-amino-5-butan-2-yl-5-methyl-1-propan-2-ylimidazol-2-one

C11H21N3O — CID 79967581

IUPAC4-amino-5-butan-2-yl-5-methyl-1-propan-2-ylimidazol-2-one
SMILESCCC(C)C1(C)C(N)=NC(=O)N1C(C)C
InChIInChI=1S/C11H21N3O/c1-6-8(4)11(5)9(12)13-10(15)14(11)7(2)3/h7-8H,6H2,1-5H3,(H2,12,13,15)
InChIKeyZANFPZYNLLXULA-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.99
Rot. Bonds3

About 4-amino-5-butan-2-yl-5-methyl-1-propan-2-ylimidazol-2-one

4-amino-5-butan-2-yl-5-methyl-1-propan-2-ylimidazol-2-one (PubChem CID 79967581) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 4-amino-5-butan-2-yl-5-methyl-1-propan-2-ylimidazol-2-one.

Molecular Properties

Compound Name4-amino-5-butan-2-yl-5-methyl-1-propan-2-ylimidazol-2-one
PubChem CID79967581
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name4-amino-5-butan-2-yl-5-methyl-1-propan-2-ylimidazol-2-one
SMILESCCC(C)C1(C)C(N)=NC(=O)N1C(C)C
InChIInChI=1S/C11H21N3O/c1-6-8(4)11(5)9(12)13-10(15)14(11)7(2)3/h7-8H,6H2,1-5H3,(H2,12,13,15)
InChIKeyZANFPZYNLLXULA-UHFFFAOYSA-N
XLogP1.99
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Amino-5-methyl-1-propyl-5-(4,4,4-trifluorobutyl)imidazol-2-one
CID 113534031
4-Amino-5-methyl-1-propan-2-yl-5-(4,4,4-trifluorobutyl)imidazol-2-one
CID 113534032
4-Amino-5-methyl-1-(2-methylpropyl)-5-(4,4,4-trifluorobutyl)imidazol-2-one
CID 116536456
4-Amino-1-ethyl-5-methyl-5-(4,4,4-trifluorobutyl)imidazol-2-one
CID 116536458
4-Amino-1-(2-methylpropyl)-8-propan-2-yl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79959228
4-Amino-6-ethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79959229
4-Amino-5,5-diethyl-1-(2-methylpropyl)imidazol-2-one
CID 79959237
5-amino-4-cyclopentyl-3-(2-methylpropyl)-4H-imidazol-2-one
CID 79959238
4-Amino-1,8-dimethyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one
CID 79959241
4-Amino-1-cyclopropyl-8-methyl-1,3-diazaspiro[4.6]undec-3-en-2-one
CID 79959447
4-Amino-1-cyclopropyl-5-methyl-5-(3-methylbutyl)imidazol-2-one
CID 79959450
4-Amino-5-methyl-1,5-dipropylimidazol-2-one
CID 79959459

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-butan-2-yl-5-methyl-1-propan-2-ylimidazol-2-one?
The IUPAC name of 4-amino-5-butan-2-yl-5-methyl-1-propan-2-ylimidazol-2-one (CID 79967581) is 4-amino-5-butan-2-yl-5-methyl-1-propan-2-ylimidazol-2-one.
What is the SMILES notation for 4-amino-5-butan-2-yl-5-methyl-1-propan-2-ylimidazol-2-one?
The canonical SMILES for 4-amino-5-butan-2-yl-5-methyl-1-propan-2-ylimidazol-2-one is CCC(C)C1(C)C(N)=NC(=O)N1C(C)C.
What is the InChIKey of 4-amino-5-butan-2-yl-5-methyl-1-propan-2-ylimidazol-2-one?
The InChIKey is ZANFPZYNLLXULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-6-8(4)11(5)9(12)13-10(15)14(11)7(2)3/h7-8H,6H2,1-5H3,(H2,12,13,15).
What are the key properties of 4-amino-5-butan-2-yl-5-methyl-1-propan-2-ylimidazol-2-one?
4-amino-5-butan-2-yl-5-methyl-1-propan-2-ylimidazol-2-one has a molecular weight of 211.31 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-butan-2-yl-5-methyl-1-propan-2-ylimidazol-2-one is sourced from PubChem (CID 79967581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).