4-methyl-3-[4-[2-(methylamino)acetyl]phenyl]-1H-imidazol-2-one

C13H15N3O2 — CID 117365072

IUPAC4-methyl-3-[4-[2-(methylamino)acetyl]phenyl]-1H-imidazol-2-one
SMILESCNCC(=O)c1ccc(-n2c(C)c[nH]c2=O)cc1
InChIInChI=1S/C13H15N3O2/c1-9-7-15-13(18)16(9)11-5-3-10(4-6-11)12(17)8-14-2/h3-7,14H,8H2,1-2H3,(H,15,18)
InChIKeyBBAACUIWPZXYOO-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.88
Rot. Bonds4

About 4-methyl-3-[4-[2-(methylamino)acetyl]phenyl]-1H-imidazol-2-one

4-methyl-3-[4-[2-(methylamino)acetyl]phenyl]-1H-imidazol-2-one (PubChem CID 117365072) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-methyl-3-[4-[2-(methylamino)acetyl]phenyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name4-methyl-3-[4-[2-(methylamino)acetyl]phenyl]-1H-imidazol-2-one
PubChem CID117365072
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name4-methyl-3-[4-[2-(methylamino)acetyl]phenyl]-1H-imidazol-2-one
SMILESCNCC(=O)c1ccc(-n2c(C)c[nH]c2=O)cc1
InChIInChI=1S/C13H15N3O2/c1-9-7-15-13(18)16(9)11-5-3-10(4-6-11)12(17)8-14-2/h3-7,14H,8H2,1-2H3,(H,15,18)
InChIKeyBBAACUIWPZXYOO-UHFFFAOYSA-N
XLogP0.88
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[4-[2-(methylamino)acetyl]phenyl]-1H-imidazol-2-one?
The IUPAC name of 4-methyl-3-[4-[2-(methylamino)acetyl]phenyl]-1H-imidazol-2-one (CID 117365072) is 4-methyl-3-[4-[2-(methylamino)acetyl]phenyl]-1H-imidazol-2-one.
What is the SMILES notation for 4-methyl-3-[4-[2-(methylamino)acetyl]phenyl]-1H-imidazol-2-one?
The canonical SMILES for 4-methyl-3-[4-[2-(methylamino)acetyl]phenyl]-1H-imidazol-2-one is CNCC(=O)c1ccc(-n2c(C)c[nH]c2=O)cc1.
What is the InChIKey of 4-methyl-3-[4-[2-(methylamino)acetyl]phenyl]-1H-imidazol-2-one?
The InChIKey is BBAACUIWPZXYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9-7-15-13(18)16(9)11-5-3-10(4-6-11)12(17)8-14-2/h3-7,14H,8H2,1-2H3,(H,15,18).
What are the key properties of 4-methyl-3-[4-[2-(methylamino)acetyl]phenyl]-1H-imidazol-2-one?
4-methyl-3-[4-[2-(methylamino)acetyl]phenyl]-1H-imidazol-2-one has a molecular weight of 245.28 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[4-[2-(methylamino)acetyl]phenyl]-1H-imidazol-2-one is sourced from PubChem (CID 117365072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).