2-amino-5-methyl-3-[(2S)-3-methylbutan-2-yl]-5-(2-methylpropyl)imidazol-4-one

C13H25N3O — CID 145460714

IUPAC2-amino-5-methyl-3-[(2S)-3-methylbutan-2-yl]-5-(2-methylpropyl)imidazol-4-one
SMILESCC(C)CC1(C)N=C(N)N([C@@H](C)C(C)C)C1=O
InChIInChI=1S/C13H25N3O/c1-8(2)7-13(6)11(17)16(12(14)15-13)10(5)9(3)4/h8-10H,7H2,1-6H3,(H2,14,15)/t10-,13?/m0/s1
InChIKeyAXIFJIRQNPEYDP-NKUHCKNESA-N
MW239.36 g/mol
LogP1.99
Rot. Bonds4

About 2-amino-5-methyl-3-[(2S)-3-methylbutan-2-yl]-5-(2-methylpropyl)imidazol-4-one

2-amino-5-methyl-3-[(2S)-3-methylbutan-2-yl]-5-(2-methylpropyl)imidazol-4-one (PubChem CID 145460714) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-amino-5-methyl-3-[(2S)-3-methylbutan-2-yl]-5-(2-methylpropyl)imidazol-4-one.

Molecular Properties

Compound Name2-amino-5-methyl-3-[(2S)-3-methylbutan-2-yl]-5-(2-methylpropyl)imidazol-4-one
PubChem CID145460714
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-amino-5-methyl-3-[(2S)-3-methylbutan-2-yl]-5-(2-methylpropyl)imidazol-4-one
SMILESCC(C)CC1(C)N=C(N)N([C@@H](C)C(C)C)C1=O
InChIInChI=1S/C13H25N3O/c1-8(2)7-13(6)11(17)16(12(14)15-13)10(5)9(3)4/h8-10H,7H2,1-6H3,(H2,14,15)/t10-,13?/m0/s1
InChIKeyAXIFJIRQNPEYDP-NKUHCKNESA-N
XLogP1.99
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methyl-3-[(2S)-3-methylbutan-2-yl]-5-(2-methylpropyl)imidazol-4-one?
The IUPAC name of 2-amino-5-methyl-3-[(2S)-3-methylbutan-2-yl]-5-(2-methylpropyl)imidazol-4-one (CID 145460714) is 2-amino-5-methyl-3-[(2S)-3-methylbutan-2-yl]-5-(2-methylpropyl)imidazol-4-one.
What is the SMILES notation for 2-amino-5-methyl-3-[(2S)-3-methylbutan-2-yl]-5-(2-methylpropyl)imidazol-4-one?
The canonical SMILES for 2-amino-5-methyl-3-[(2S)-3-methylbutan-2-yl]-5-(2-methylpropyl)imidazol-4-one is CC(C)CC1(C)N=C(N)N([C@@H](C)C(C)C)C1=O.
What is the InChIKey of 2-amino-5-methyl-3-[(2S)-3-methylbutan-2-yl]-5-(2-methylpropyl)imidazol-4-one?
The InChIKey is AXIFJIRQNPEYDP-NKUHCKNESA-N. The full InChI is InChI=1S/C13H25N3O/c1-8(2)7-13(6)11(17)16(12(14)15-13)10(5)9(3)4/h8-10H,7H2,1-6H3,(H2,14,15)/t10-,13?/m0/s1.
What are the key properties of 2-amino-5-methyl-3-[(2S)-3-methylbutan-2-yl]-5-(2-methylpropyl)imidazol-4-one?
2-amino-5-methyl-3-[(2S)-3-methylbutan-2-yl]-5-(2-methylpropyl)imidazol-4-one has a molecular weight of 239.36 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methyl-3-[(2S)-3-methylbutan-2-yl]-5-(2-methylpropyl)imidazol-4-one is sourced from PubChem (CID 145460714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).