1-[2-(dimethylamino)-3,5-dimethyl-2H-imidazol-1-yl]ethanone

C9H17N3O — CID 141155595

IUPAC1-[2-(dimethylamino)-3,5-dimethyl-2H-imidazol-1-yl]ethanone
SMILESCC(=O)N1C(C)=CN(C)C1N(C)C
InChIInChI=1S/C9H17N3O/c1-7-6-11(5)9(10(3)4)12(7)8(2)13/h6,9H,1-5H3
InChIKeyXZGPRJDONDRDKV-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.49
Rot. Bonds1

About 1-[2-(dimethylamino)-3,5-dimethyl-2H-imidazol-1-yl]ethanone

1-[2-(dimethylamino)-3,5-dimethyl-2H-imidazol-1-yl]ethanone (PubChem CID 141155595) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-3,5-dimethyl-2H-imidazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-(dimethylamino)-3,5-dimethyl-2H-imidazol-1-yl]ethanone
PubChem CID141155595
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name1-[2-(dimethylamino)-3,5-dimethyl-2H-imidazol-1-yl]ethanone
SMILESCC(=O)N1C(C)=CN(C)C1N(C)C
InChIInChI=1S/C9H17N3O/c1-7-6-11(5)9(10(3)4)12(7)8(2)13/h6,9H,1-5H3
InChIKeyXZGPRJDONDRDKV-UHFFFAOYSA-N
XLogP0.49
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-Diacetyl-4-methyl-1,3-dihydro-2H-imidazol-2-one
CID 12699181
4-Methyl-1,3-di(propan-2-yl)imidazol-2-one
CID 85551232
1,3-Diacetyl-4-(bromomethyl)imidazol-2-one
CID 18922337
3-Ethyl-1,4-dimethylimidazol-2-one
CID 59571529
1-(3-Acetyl-2,2-dimethylimidazol-1-yl)ethanone
CID 59677973
N-[[ethenyl(propan-2-yl)amino]methyl]-N-propan-2-ylacetamide
CID 89041904
N-[[2-methylprop-1-enyl(propan-2-yl)amino]methyl]-N-propan-2-ylacetamide
CID 89057682
1,3-Ditert-butyl-4-methylimidazol-2-one
CID 118941374
1-(2,3,5-trimethyl-2H-imidazol-1-yl)ethanone
CID 141071074
N-methyl-N-[(E)-1-[methyl-[methyl(propyl)carbamoyl]amino]prop-1-en-2-yl]acetamide
CID 145316110
1,3-Diethyl-4-methylimidazol-2-one
CID 150979839
1,4-Dimethyl-3-propan-2-ylimidazol-2-one
CID 161506977

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-3,5-dimethyl-2H-imidazol-1-yl]ethanone?
The IUPAC name of 1-[2-(dimethylamino)-3,5-dimethyl-2H-imidazol-1-yl]ethanone (CID 141155595) is 1-[2-(dimethylamino)-3,5-dimethyl-2H-imidazol-1-yl]ethanone.
What is the SMILES notation for 1-[2-(dimethylamino)-3,5-dimethyl-2H-imidazol-1-yl]ethanone?
The canonical SMILES for 1-[2-(dimethylamino)-3,5-dimethyl-2H-imidazol-1-yl]ethanone is CC(=O)N1C(C)=CN(C)C1N(C)C.
What is the InChIKey of 1-[2-(dimethylamino)-3,5-dimethyl-2H-imidazol-1-yl]ethanone?
The InChIKey is XZGPRJDONDRDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-7-6-11(5)9(10(3)4)12(7)8(2)13/h6,9H,1-5H3.
What are the key properties of 1-[2-(dimethylamino)-3,5-dimethyl-2H-imidazol-1-yl]ethanone?
1-[2-(dimethylamino)-3,5-dimethyl-2H-imidazol-1-yl]ethanone has a molecular weight of 183.25 g/mol, XLogP of 0.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-3,5-dimethyl-2H-imidazol-1-yl]ethanone is sourced from PubChem (CID 141155595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).