5-amino-4-methyl-3-(2-methylpropyl)-4H-imidazol-2-one

C8H15N3O — CID 79960297

IUPAC5-amino-4-methyl-3-(2-methylpropyl)-4H-imidazol-2-one
SMILESCC(C)CN1C(=O)N=C(N)C1C
InChIInChI=1S/C8H15N3O/c1-5(2)4-11-6(3)7(9)10-8(11)12/h5-6H,4H2,1-3H3,(H2,9,10,12)
InChIKeyXYIKTIGMSNIEGK-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.82
Rot. Bonds2

About 5-amino-4-methyl-3-(2-methylpropyl)-4H-imidazol-2-one

5-amino-4-methyl-3-(2-methylpropyl)-4H-imidazol-2-one (PubChem CID 79960297) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 5-amino-4-methyl-3-(2-methylpropyl)-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-4-methyl-3-(2-methylpropyl)-4H-imidazol-2-one
PubChem CID79960297
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name5-amino-4-methyl-3-(2-methylpropyl)-4H-imidazol-2-one
SMILESCC(C)CN1C(=O)N=C(N)C1C
InChIInChI=1S/C8H15N3O/c1-5(2)4-11-6(3)7(9)10-8(11)12/h5-6H,4H2,1-3H3,(H2,9,10,12)
InChIKeyXYIKTIGMSNIEGK-UHFFFAOYSA-N
XLogP0.82
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-methyl-3-(2-methylpropyl)-4H-imidazol-2-one?
The IUPAC name of 5-amino-4-methyl-3-(2-methylpropyl)-4H-imidazol-2-one (CID 79960297) is 5-amino-4-methyl-3-(2-methylpropyl)-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-4-methyl-3-(2-methylpropyl)-4H-imidazol-2-one?
The canonical SMILES for 5-amino-4-methyl-3-(2-methylpropyl)-4H-imidazol-2-one is CC(C)CN1C(=O)N=C(N)C1C.
What is the InChIKey of 5-amino-4-methyl-3-(2-methylpropyl)-4H-imidazol-2-one?
The InChIKey is XYIKTIGMSNIEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-5(2)4-11-6(3)7(9)10-8(11)12/h5-6H,4H2,1-3H3,(H2,9,10,12).
What are the key properties of 5-amino-4-methyl-3-(2-methylpropyl)-4H-imidazol-2-one?
5-amino-4-methyl-3-(2-methylpropyl)-4H-imidazol-2-one has a molecular weight of 169.23 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-methyl-3-(2-methylpropyl)-4H-imidazol-2-one is sourced from PubChem (CID 79960297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).