1,3,4-trimethylimidazol-2-one

C6H10N2O — CID 11051656

IUPAC1,3,4-trimethylimidazol-2-one
SMILESCc1cn(C)c(=O)n1C
InChIInChI=1S/C6H10N2O/c1-5-4-7(2)6(9)8(5)3/h4H,1-3H3
InChIKeyXWBBRSVAQJLJGL-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.03
Rot. Bonds

About 1,3,4-trimethylimidazol-2-one

1,3,4-trimethylimidazol-2-one (PubChem CID 11051656) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 1,3,4-trimethylimidazol-2-one.

Molecular Properties

Compound Name1,3,4-trimethylimidazol-2-one
PubChem CID11051656
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name1,3,4-trimethylimidazol-2-one
SMILESCc1cn(C)c(=O)n1C
InChIInChI=1S/C6H10N2O/c1-5-4-7(2)6(9)8(5)3/h4H,1-3H3
InChIKeyXWBBRSVAQJLJGL-UHFFFAOYSA-N
XLogP0.03
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.03
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
4-Methyl-1,3-di(propan-2-yl)imidazol-2-one
CID 85551232
3-(Difluoromethyl)-1,4-dimethylimidazol-2-one
CID 21306280
1-[(Z)-but-2-en-2-yl]-3,3-dimethyl-1-[(E)-prop-1-enyl]urea
CID 101632684
2H-Imidazol-2-one, 1,3-dihydro-1-methyl-3-(2-propenyl)-
CID 10773043
4-Ethyl-1,3-dimethylimidazol-2-one
CID 18338546
1-Amino-3,4-dimethyl-1,3-dihydroimidazol-2-one
CID 19350729
1,5-Dimethyl-1,3-dihydro-2H-imidazol-2-one
CID 19777659
2-methoxy-1,3,4-trimethyl-2H-imidazole
CID 21361202
1,3-Dimethyl-4-methylidenepyrimidin-2-one
CID 23052628
1,3-Dimethoxy-4-methylimidazol-2-one
CID 53666631
1-Ethyl-3-propan-2-ylimidazol-2-one
CID 54025726

Frequently Asked Questions

What is the IUPAC name of 1,3,4-trimethylimidazol-2-one?
The IUPAC name of 1,3,4-trimethylimidazol-2-one (CID 11051656) is 1,3,4-trimethylimidazol-2-one.
What is the SMILES notation for 1,3,4-trimethylimidazol-2-one?
The canonical SMILES for 1,3,4-trimethylimidazol-2-one is Cc1cn(C)c(=O)n1C.
What is the InChIKey of 1,3,4-trimethylimidazol-2-one?
The InChIKey is XWBBRSVAQJLJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-5-4-7(2)6(9)8(5)3/h4H,1-3H3.
What are the key properties of 1,3,4-trimethylimidazol-2-one?
1,3,4-trimethylimidazol-2-one has a molecular weight of 126.16 g/mol, XLogP of 0.03, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-trimethylimidazol-2-one is sourced from PubChem (CID 11051656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).