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

C13H15N3O2 — CID 117365074

IUPAC1-methyl-3-[3-[2-(methylamino)acetyl]phenyl]imidazol-2-one
SMILESCNCC(=O)c1cccc(-n2ccn(C)c2=O)c1
InChIInChI=1S/C13H15N3O2/c1-14-9-12(17)10-4-3-5-11(8-10)16-7-6-15(2)13(16)18/h3-8,14H,9H2,1-2H3
InChIKeyXPISECHDARPHAM-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.58
Rot. Bonds4

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

1-methyl-3-[3-[2-(methylamino)acetyl]phenyl]imidazol-2-one (PubChem CID 117365074) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1-methyl-3-[3-[2-(methylamino)acetyl]phenyl]imidazol-2-one.

Molecular Properties

Compound Name1-methyl-3-[3-[2-(methylamino)acetyl]phenyl]imidazol-2-one
PubChem CID117365074
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name1-methyl-3-[3-[2-(methylamino)acetyl]phenyl]imidazol-2-one
SMILESCNCC(=O)c1cccc(-n2ccn(C)c2=O)c1
InChIInChI=1S/C13H15N3O2/c1-14-9-12(17)10-4-3-5-11(8-10)16-7-6-15(2)13(16)18/h3-8,14H,9H2,1-2H3
InChIKeyXPISECHDARPHAM-UHFFFAOYSA-N
XLogP0.58
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[3-[2-(methylamino)acetyl]phenyl]imidazol-2-one?
The IUPAC name of 1-methyl-3-[3-[2-(methylamino)acetyl]phenyl]imidazol-2-one (CID 117365074) is 1-methyl-3-[3-[2-(methylamino)acetyl]phenyl]imidazol-2-one.
What is the SMILES notation for 1-methyl-3-[3-[2-(methylamino)acetyl]phenyl]imidazol-2-one?
The canonical SMILES for 1-methyl-3-[3-[2-(methylamino)acetyl]phenyl]imidazol-2-one is CNCC(=O)c1cccc(-n2ccn(C)c2=O)c1.
What is the InChIKey of 1-methyl-3-[3-[2-(methylamino)acetyl]phenyl]imidazol-2-one?
The InChIKey is XPISECHDARPHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-14-9-12(17)10-4-3-5-11(8-10)16-7-6-15(2)13(16)18/h3-8,14H,9H2,1-2H3.
What are the key properties of 1-methyl-3-[3-[2-(methylamino)acetyl]phenyl]imidazol-2-one?
1-methyl-3-[3-[2-(methylamino)acetyl]phenyl]imidazol-2-one has a molecular weight of 245.28 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[3-[2-(methylamino)acetyl]phenyl]imidazol-2-one is sourced from PubChem (CID 117365074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).