3-[2-(2-aminoacetyl)phenyl]-1,4-dimethylimidazol-2-one

C13H15N3O2 — CID 117365063

IUPAC3-[2-(2-aminoacetyl)phenyl]-1,4-dimethylimidazol-2-one
SMILESCc1cn(C)c(=O)n1-c1ccccc1C(=O)CN
InChIInChI=1S/C13H15N3O2/c1-9-8-15(2)13(18)16(9)11-6-4-3-5-10(11)12(17)7-14/h3-6,8H,7,14H2,1-2H3
InChIKeyCCSLNKVSAQCIMC-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.63
Rot. Bonds3

About 3-[2-(2-aminoacetyl)phenyl]-1,4-dimethylimidazol-2-one

3-[2-(2-aminoacetyl)phenyl]-1,4-dimethylimidazol-2-one (PubChem CID 117365063) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-[2-(2-aminoacetyl)phenyl]-1,4-dimethylimidazol-2-one.

Molecular Properties

Compound Name3-[2-(2-aminoacetyl)phenyl]-1,4-dimethylimidazol-2-one
PubChem CID117365063
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name3-[2-(2-aminoacetyl)phenyl]-1,4-dimethylimidazol-2-one
SMILESCc1cn(C)c(=O)n1-c1ccccc1C(=O)CN
InChIInChI=1S/C13H15N3O2/c1-9-8-15(2)13(18)16(9)11-6-4-3-5-10(11)12(17)7-14/h3-6,8H,7,14H2,1-2H3
InChIKeyCCSLNKVSAQCIMC-UHFFFAOYSA-N
XLogP0.63
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[2-(3,5-dimethyl-2-oxoimidazol-1-yl)phenyl]-2-hydroxyacetate
CID 117468952
1-[2-(3,5-dimethyl-2-oxoimidazol-1-yl)phenyl]cyclobutane-1-carboxylic acid
CID 117461839
2-amino-1-[2-(2-methylimidazol-1-yl)phenyl]ethanone
CID 83821528
3-[2-(3-amino-1,2-oxazol-5-yl)phenyl]-1,4-dimethylimidazol-2-one
CID 117428885
1-[2-(2-aminoacetyl)phenyl]-3-propan-2-ylimidazolidin-2-one
CID 117407698
ethyl 2-[3-(4-methoxyphenyl)-5-methyl-2-oxoimidazol-1-yl]benzoate
CID 15466903
1-methyl-3-[2-[2-(methylamino)acetyl]phenyl]imidazol-2-one
CID 117365075
ethyl 2-(2-aminoacetyl)benzoate
CID 18694028
2-amino-1-(7-fluoro-1-methylindol-3-yl)ethanone
CID 82659307
1-[2-(3-aminopropanoyl)phenyl]-3-methylimidazolidin-2-one
CID 117370660
2-amino-1-[2-(1-methylazetidin-3-yl)phenyl]ethanone
CID 83832576
3-[3-[(E)-3-aminoprop-1-enyl]phenyl]-1,4-dimethylimidazol-2-one
CID 117360365

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-aminoacetyl)phenyl]-1,4-dimethylimidazol-2-one?
The IUPAC name of 3-[2-(2-aminoacetyl)phenyl]-1,4-dimethylimidazol-2-one (CID 117365063) is 3-[2-(2-aminoacetyl)phenyl]-1,4-dimethylimidazol-2-one.
What is the SMILES notation for 3-[2-(2-aminoacetyl)phenyl]-1,4-dimethylimidazol-2-one?
The canonical SMILES for 3-[2-(2-aminoacetyl)phenyl]-1,4-dimethylimidazol-2-one is Cc1cn(C)c(=O)n1-c1ccccc1C(=O)CN.
What is the InChIKey of 3-[2-(2-aminoacetyl)phenyl]-1,4-dimethylimidazol-2-one?
The InChIKey is CCSLNKVSAQCIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9-8-15(2)13(18)16(9)11-6-4-3-5-10(11)12(17)7-14/h3-6,8H,7,14H2,1-2H3.
What are the key properties of 3-[2-(2-aminoacetyl)phenyl]-1,4-dimethylimidazol-2-one?
3-[2-(2-aminoacetyl)phenyl]-1,4-dimethylimidazol-2-one has a molecular weight of 245.28 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-aminoacetyl)phenyl]-1,4-dimethylimidazol-2-one is sourced from PubChem (CID 117365063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).