2-ethyl-4-methyl-1,4-dihydroimidazol-5-one

C6H10N2O — CID 45092625

IUPAC2-ethyl-4-methyl-1,4-dihydroimidazol-5-one
SMILESCCC1=NC(C)C(=O)N1
InChIInChI=1S/C6H10N2O/c1-3-5-7-4(2)6(9)8-5/h4H,3H2,1-2H3,(H,7,8,9)
InChIKeyNFFVCKZBOSWBFF-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.31
Rot. Bonds1

About 2-ethyl-4-methyl-1,4-dihydroimidazol-5-one

2-ethyl-4-methyl-1,4-dihydroimidazol-5-one (PubChem CID 45092625) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 2-ethyl-4-methyl-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-ethyl-4-methyl-1,4-dihydroimidazol-5-one
PubChem CID45092625
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name2-ethyl-4-methyl-1,4-dihydroimidazol-5-one
SMILESCCC1=NC(C)C(=O)N1
InChIInChI=1S/C6H10N2O/c1-3-5-7-4(2)6(9)8-5/h4H,3H2,1-2H3,(H,7,8,9)
InChIKeyNFFVCKZBOSWBFF-UHFFFAOYSA-N
XLogP0.31
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-ethyl-4-methyl-1,4-dihydroimidazol-5-one (CID 45092625) is 2-ethyl-4-methyl-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-ethyl-4-methyl-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-ethyl-4-methyl-1,4-dihydroimidazol-5-one is CCC1=NC(C)C(=O)N1.
What is the InChIKey of 2-ethyl-4-methyl-1,4-dihydroimidazol-5-one?
The InChIKey is NFFVCKZBOSWBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-3-5-7-4(2)6(9)8-5/h4H,3H2,1-2H3,(H,7,8,9).
What are the key properties of 2-ethyl-4-methyl-1,4-dihydroimidazol-5-one?
2-ethyl-4-methyl-1,4-dihydroimidazol-5-one has a molecular weight of 126.16 g/mol, XLogP of 0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 45092625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).