3-[2-(dimethylamino)ethyl]-1H-imidazol-2-one

C7H13N3O — CID 103125044

IUPAC3-[2-(dimethylamino)ethyl]-1H-imidazol-2-one
SMILESCN(C)CCn1cc[nH]c1=O
InChIInChI=1S/C7H13N3O/c1-9(2)5-6-10-4-3-8-7(10)11/h3-4H,5-6H2,1-2H3,(H,8,11)
InChIKeyOMZGRBCKMUPVSO-UHFFFAOYSA-N
MW155.20 g/mol
LogP-0.26
Rot. Bonds3

About 3-[2-(dimethylamino)ethyl]-1H-imidazol-2-one

3-[2-(dimethylamino)ethyl]-1H-imidazol-2-one (PubChem CID 103125044) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-1H-imidazol-2-one
PubChem CID103125044
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name3-[2-(dimethylamino)ethyl]-1H-imidazol-2-one
SMILESCN(C)CCn1cc[nH]c1=O
InChIInChI=1S/C7H13N3O/c1-9(2)5-6-10-4-3-8-7(10)11/h3-4H,5-6H2,1-2H3,(H,8,11)
InChIKeyOMZGRBCKMUPVSO-UHFFFAOYSA-N
XLogP-0.26
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-1H-imidazol-2-one?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-1H-imidazol-2-one (CID 103125044) is 3-[2-(dimethylamino)ethyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-1H-imidazol-2-one?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-1H-imidazol-2-one is CN(C)CCn1cc[nH]c1=O.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-1H-imidazol-2-one?
The InChIKey is OMZGRBCKMUPVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-9(2)5-6-10-4-3-8-7(10)11/h3-4H,5-6H2,1-2H3,(H,8,11).
What are the key properties of 3-[2-(dimethylamino)ethyl]-1H-imidazol-2-one?
3-[2-(dimethylamino)ethyl]-1H-imidazol-2-one has a molecular weight of 155.20 g/mol, XLogP of -0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-1H-imidazol-2-one is sourced from PubChem (CID 103125044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).