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

C5H8N2O — CID 19777659

IUPAC3,4-dimethyl-1H-imidazol-2-one
SMILESCc1c[nH]c(=O)n1C
InChIInChI=1S/C5H8N2O/c1-4-3-6-5(8)7(4)2/h3H,1-2H3,(H,6,8)
InChIKeyXPCSTLGFZSTVNZ-UHFFFAOYSA-N
MW112.13 g/mol
LogP0.02
Rot. Bonds

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

3,4-dimethyl-1H-imidazol-2-one (PubChem CID 19777659) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is 3,4-dimethyl-1H-imidazol-2-one.

Molecular Properties

Compound Name3,4-dimethyl-1H-imidazol-2-one
PubChem CID19777659
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name3,4-dimethyl-1H-imidazol-2-one
SMILESCc1c[nH]c(=O)n1C
InChIInChI=1S/C5H8N2O/c1-4-3-6-5(8)7(4)2/h3H,1-2H3,(H,6,8)
InChIKeyXPCSTLGFZSTVNZ-UHFFFAOYSA-N
XLogP0.02
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1H-imidazol-2-one?
The IUPAC name of 3,4-dimethyl-1H-imidazol-2-one (CID 19777659) is 3,4-dimethyl-1H-imidazol-2-one.
What is the SMILES notation for 3,4-dimethyl-1H-imidazol-2-one?
The canonical SMILES for 3,4-dimethyl-1H-imidazol-2-one is Cc1c[nH]c(=O)n1C.
What is the InChIKey of 3,4-dimethyl-1H-imidazol-2-one?
The InChIKey is XPCSTLGFZSTVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O/c1-4-3-6-5(8)7(4)2/h3H,1-2H3,(H,6,8).
What are the key properties of 3,4-dimethyl-1H-imidazol-2-one?
3,4-dimethyl-1H-imidazol-2-one has a molecular weight of 112.13 g/mol, XLogP of 0.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1H-imidazol-2-one is sourced from PubChem (CID 19777659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).