3-ethyl-4,5-dimethyl-1H-imidazol-2-one

C7H12N2O — CID 14896912

IUPAC3-ethyl-4,5-dimethyl-1H-imidazol-2-one
SMILESCCn1c(C)c(C)[nH]c1=O
InChIInChI=1S/C7H12N2O/c1-4-9-6(3)5(2)8-7(9)10/h4H2,1-3H3,(H,8,10)
InChIKeyPJHLWGZVVAXAQY-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.81
Rot. Bonds1

About 3-ethyl-4,5-dimethyl-1H-imidazol-2-one

3-ethyl-4,5-dimethyl-1H-imidazol-2-one (PubChem CID 14896912) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 3-ethyl-4,5-dimethyl-1H-imidazol-2-one.

Molecular Properties

Compound Name3-ethyl-4,5-dimethyl-1H-imidazol-2-one
PubChem CID14896912
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name3-ethyl-4,5-dimethyl-1H-imidazol-2-one
SMILESCCn1c(C)c(C)[nH]c1=O
InChIInChI=1S/C7H12N2O/c1-4-9-6(3)5(2)8-7(9)10/h4H2,1-3H3,(H,8,10)
InChIKeyPJHLWGZVVAXAQY-UHFFFAOYSA-N
XLogP0.81
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4,5-dimethyl-1H-imidazol-2-one?
The IUPAC name of 3-ethyl-4,5-dimethyl-1H-imidazol-2-one (CID 14896912) is 3-ethyl-4,5-dimethyl-1H-imidazol-2-one.
What is the SMILES notation for 3-ethyl-4,5-dimethyl-1H-imidazol-2-one?
The canonical SMILES for 3-ethyl-4,5-dimethyl-1H-imidazol-2-one is CCn1c(C)c(C)[nH]c1=O.
What is the InChIKey of 3-ethyl-4,5-dimethyl-1H-imidazol-2-one?
The InChIKey is PJHLWGZVVAXAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-4-9-6(3)5(2)8-7(9)10/h4H2,1-3H3,(H,8,10).
What are the key properties of 3-ethyl-4,5-dimethyl-1H-imidazol-2-one?
3-ethyl-4,5-dimethyl-1H-imidazol-2-one has a molecular weight of 140.19 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4,5-dimethyl-1H-imidazol-2-one is sourced from PubChem (CID 14896912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).