3-ethyl-1,4-dimethylimidazol-2-one

C7H12N2O — CID 59571529

IUPAC3-ethyl-1,4-dimethylimidazol-2-one
SMILESCCn1c(C)cn(C)c1=O
InChIInChI=1S/C7H12N2O/c1-4-9-6(2)5-8(3)7(9)10/h5H,4H2,1-3H3
InChIKeyBFYMKDPVVJAZLE-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.52
Rot. Bonds1

About 3-ethyl-1,4-dimethylimidazol-2-one

3-ethyl-1,4-dimethylimidazol-2-one (PubChem CID 59571529) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 3-ethyl-1,4-dimethylimidazol-2-one.

Molecular Properties

Compound Name3-ethyl-1,4-dimethylimidazol-2-one
PubChem CID59571529
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name3-ethyl-1,4-dimethylimidazol-2-one
SMILESCCn1c(C)cn(C)c1=O
InChIInChI=1S/C7H12N2O/c1-4-9-6(2)5-8(3)7(9)10/h5H,4H2,1-3H3
InChIKeyBFYMKDPVVJAZLE-UHFFFAOYSA-N
XLogP0.52
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-dimethyl-2,3-dihydro-1H-imidazol-2-one
CID 22035327
1,3-Dihydro-1,3,4-trimethyl-2H-imidazol-2-one
CID 11051656
4-Methyl-1,3-di(propan-2-yl)imidazol-2-one
CID 85551232
3-(Difluoromethyl)-1,4-dimethylimidazol-2-one
CID 21306280
1,3-Dibutyl-4-ethylimidazol-2-one
CID 166445280
2H-Imidazol-2-one, 1,3-dihydro-1-methyl-3-(2-propenyl)-
CID 10773043
4-Ethyl-1,3-dimethylimidazol-2-one
CID 18338546
1,5-Dimethyl-1,3-dihydro-2H-imidazol-2-one
CID 19777659
1,3-Bis(prop-1-en-2-yl)imidazolidin-2-one
CID 54121505
3-ethyl-4-methyl-1H-imidazol-2-one
CID 55287036
1-Methyl-3-propan-2-ylimidazol-2-one
CID 58564296
CID 58564299
CID 58564299

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,4-dimethylimidazol-2-one?
The IUPAC name of 3-ethyl-1,4-dimethylimidazol-2-one (CID 59571529) is 3-ethyl-1,4-dimethylimidazol-2-one.
What is the SMILES notation for 3-ethyl-1,4-dimethylimidazol-2-one?
The canonical SMILES for 3-ethyl-1,4-dimethylimidazol-2-one is CCn1c(C)cn(C)c1=O.
What is the InChIKey of 3-ethyl-1,4-dimethylimidazol-2-one?
The InChIKey is BFYMKDPVVJAZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-4-9-6(2)5-8(3)7(9)10/h5H,4H2,1-3H3.
What are the key properties of 3-ethyl-1,4-dimethylimidazol-2-one?
3-ethyl-1,4-dimethylimidazol-2-one has a molecular weight of 140.19 g/mol, XLogP of 0.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,4-dimethylimidazol-2-one is sourced from PubChem (CID 59571529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).