4-methyl-2-(2-methylpropyl)-1,4-dihydroimidazol-5-one

C8H14N2O — CID 106952234

IUPAC4-methyl-2-(2-methylpropyl)-1,4-dihydroimidazol-5-one
SMILESCC(C)CC1=NC(C)C(=O)N1
InChIInChI=1S/C8H14N2O/c1-5(2)4-7-9-6(3)8(11)10-7/h5-6H,4H2,1-3H3,(H,9,10,11)
InChIKeyGODHYHCZKWNJSH-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.95
Rot. Bonds2

About 4-methyl-2-(2-methylpropyl)-1,4-dihydroimidazol-5-one

4-methyl-2-(2-methylpropyl)-1,4-dihydroimidazol-5-one (PubChem CID 106952234) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 4-methyl-2-(2-methylpropyl)-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name4-methyl-2-(2-methylpropyl)-1,4-dihydroimidazol-5-one
PubChem CID106952234
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name4-methyl-2-(2-methylpropyl)-1,4-dihydroimidazol-5-one
SMILESCC(C)CC1=NC(C)C(=O)N1
InChIInChI=1S/C8H14N2O/c1-5(2)4-7-9-6(3)8(11)10-7/h5-6H,4H2,1-3H3,(H,9,10,11)
InChIKeyGODHYHCZKWNJSH-UHFFFAOYSA-N
XLogP0.95
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-methylpropyl)-1,4-dihydroimidazol-5-one?
The IUPAC name of 4-methyl-2-(2-methylpropyl)-1,4-dihydroimidazol-5-one (CID 106952234) is 4-methyl-2-(2-methylpropyl)-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 4-methyl-2-(2-methylpropyl)-1,4-dihydroimidazol-5-one?
The canonical SMILES for 4-methyl-2-(2-methylpropyl)-1,4-dihydroimidazol-5-one is CC(C)CC1=NC(C)C(=O)N1.
What is the InChIKey of 4-methyl-2-(2-methylpropyl)-1,4-dihydroimidazol-5-one?
The InChIKey is GODHYHCZKWNJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-5(2)4-7-9-6(3)8(11)10-7/h5-6H,4H2,1-3H3,(H,9,10,11).
What are the key properties of 4-methyl-2-(2-methylpropyl)-1,4-dihydroimidazol-5-one?
4-methyl-2-(2-methylpropyl)-1,4-dihydroimidazol-5-one has a molecular weight of 154.21 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-methylpropyl)-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 106952234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).