3-(dimethylamino)-2-methoxy-5-methyl-5-phenylimidazol-4-one

C13H17N3O2 — CID 22946884

IUPAC3-(dimethylamino)-2-methoxy-5-methyl-5-phenylimidazol-4-one
SMILESCOC1=NC(C)(c2ccccc2)C(=O)N1N(C)C
InChIInChI=1S/C13H17N3O2/c1-13(10-8-6-5-7-9-10)11(17)16(15(2)3)12(14-13)18-4/h5-9H,1-4H3
InChIKeyHAAQFSQVWHZHPO-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.22
Rot. Bonds2

About 3-(dimethylamino)-2-methoxy-5-methyl-5-phenylimidazol-4-one

3-(dimethylamino)-2-methoxy-5-methyl-5-phenylimidazol-4-one (PubChem CID 22946884) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-(dimethylamino)-2-methoxy-5-methyl-5-phenylimidazol-4-one.

Molecular Properties

Compound Name3-(dimethylamino)-2-methoxy-5-methyl-5-phenylimidazol-4-one
PubChem CID22946884
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name3-(dimethylamino)-2-methoxy-5-methyl-5-phenylimidazol-4-one
SMILESCOC1=NC(C)(c2ccccc2)C(=O)N1N(C)C
InChIInChI=1S/C13H17N3O2/c1-13(10-8-6-5-7-9-10)11(17)16(15(2)3)12(14-13)18-4/h5-9H,1-4H3
InChIKeyHAAQFSQVWHZHPO-UHFFFAOYSA-N
XLogP1.22
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-2-methoxy-5-methyl-5-phenylimidazol-4-one?
The IUPAC name of 3-(dimethylamino)-2-methoxy-5-methyl-5-phenylimidazol-4-one (CID 22946884) is 3-(dimethylamino)-2-methoxy-5-methyl-5-phenylimidazol-4-one.
What is the SMILES notation for 3-(dimethylamino)-2-methoxy-5-methyl-5-phenylimidazol-4-one?
The canonical SMILES for 3-(dimethylamino)-2-methoxy-5-methyl-5-phenylimidazol-4-one is COC1=NC(C)(c2ccccc2)C(=O)N1N(C)C.
What is the InChIKey of 3-(dimethylamino)-2-methoxy-5-methyl-5-phenylimidazol-4-one?
The InChIKey is HAAQFSQVWHZHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-13(10-8-6-5-7-9-10)11(17)16(15(2)3)12(14-13)18-4/h5-9H,1-4H3.
What are the key properties of 3-(dimethylamino)-2-methoxy-5-methyl-5-phenylimidazol-4-one?
3-(dimethylamino)-2-methoxy-5-methyl-5-phenylimidazol-4-one has a molecular weight of 247.30 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-2-methoxy-5-methyl-5-phenylimidazol-4-one is sourced from PubChem (CID 22946884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).