1-[2-[(dimethylamino)methyl]-1H-imidazol-5-yl]ethanone

C8H13N3O — CID 13483386

IUPAC1-[2-[(dimethylamino)methyl]-1H-imidazol-5-yl]ethanone
SMILESCC(=O)c1cnc(CN(C)C)[nH]1
InChIInChI=1S/C8H13N3O/c1-6(12)7-4-9-8(10-7)5-11(2)3/h4H,5H2,1-3H3,(H,9,10)
InChIKeyHIDYYJONYADXDH-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.67
Rot. Bonds3

About 1-[2-[(dimethylamino)methyl]-1H-imidazol-5-yl]ethanone

1-[2-[(dimethylamino)methyl]-1H-imidazol-5-yl]ethanone (PubChem CID 13483386) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-[2-[(dimethylamino)methyl]-1H-imidazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-[(dimethylamino)methyl]-1H-imidazol-5-yl]ethanone
PubChem CID13483386
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name1-[2-[(dimethylamino)methyl]-1H-imidazol-5-yl]ethanone
SMILESCC(=O)c1cnc(CN(C)C)[nH]1
InChIInChI=1S/C8H13N3O/c1-6(12)7-4-9-8(10-7)5-11(2)3/h4H,5H2,1-3H3,(H,9,10)
InChIKeyHIDYYJONYADXDH-UHFFFAOYSA-N
XLogP0.67
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(dimethylamino)methyl]-1H-imidazol-5-yl]ethanone?
The IUPAC name of 1-[2-[(dimethylamino)methyl]-1H-imidazol-5-yl]ethanone (CID 13483386) is 1-[2-[(dimethylamino)methyl]-1H-imidazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-[(dimethylamino)methyl]-1H-imidazol-5-yl]ethanone?
The canonical SMILES for 1-[2-[(dimethylamino)methyl]-1H-imidazol-5-yl]ethanone is CC(=O)c1cnc(CN(C)C)[nH]1.
What is the InChIKey of 1-[2-[(dimethylamino)methyl]-1H-imidazol-5-yl]ethanone?
The InChIKey is HIDYYJONYADXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-6(12)7-4-9-8(10-7)5-11(2)3/h4H,5H2,1-3H3,(H,9,10).
What are the key properties of 1-[2-[(dimethylamino)methyl]-1H-imidazol-5-yl]ethanone?
1-[2-[(dimethylamino)methyl]-1H-imidazol-5-yl]ethanone has a molecular weight of 167.21 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(dimethylamino)methyl]-1H-imidazol-5-yl]ethanone is sourced from PubChem (CID 13483386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).