1-(2,5-dimethyl-1H-imidazol-4-yl)ethanone

C7H10N2O — CID 13058849

IUPAC1-(2,5-dimethyl-1H-imidazol-4-yl)ethanone
SMILESCC(=O)c1nc(C)[nH]c1C
InChIInChI=1S/C7H10N2O/c1-4-7(5(2)10)9-6(3)8-4/h1-3H3,(H,8,9)
InChIKeyHEUBFSYOZRPRTD-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.23
Rot. Bonds1

About 1-(2,5-dimethyl-1H-imidazol-4-yl)ethanone

1-(2,5-dimethyl-1H-imidazol-4-yl)ethanone (PubChem CID 13058849) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 1-(2,5-dimethyl-1H-imidazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(2,5-dimethyl-1H-imidazol-4-yl)ethanone
PubChem CID13058849
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name1-(2,5-dimethyl-1H-imidazol-4-yl)ethanone
SMILESCC(=O)c1nc(C)[nH]c1C
InChIInChI=1S/C7H10N2O/c1-4-7(5(2)10)9-6(3)8-4/h1-3H3,(H,8,9)
InChIKeyHEUBFSYOZRPRTD-UHFFFAOYSA-N
XLogP1.23
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-1H-imidazol-4-yl)ethanone?
The IUPAC name of 1-(2,5-dimethyl-1H-imidazol-4-yl)ethanone (CID 13058849) is 1-(2,5-dimethyl-1H-imidazol-4-yl)ethanone.
What is the SMILES notation for 1-(2,5-dimethyl-1H-imidazol-4-yl)ethanone?
The canonical SMILES for 1-(2,5-dimethyl-1H-imidazol-4-yl)ethanone is CC(=O)c1nc(C)[nH]c1C.
What is the InChIKey of 1-(2,5-dimethyl-1H-imidazol-4-yl)ethanone?
The InChIKey is HEUBFSYOZRPRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-4-7(5(2)10)9-6(3)8-4/h1-3H3,(H,8,9).
What are the key properties of 1-(2,5-dimethyl-1H-imidazol-4-yl)ethanone?
1-(2,5-dimethyl-1H-imidazol-4-yl)ethanone has a molecular weight of 138.17 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-1H-imidazol-4-yl)ethanone is sourced from PubChem (CID 13058849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).