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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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).