5-amino-3-(2-methoxyethyl)-4-(2,4,6-trimethylphenyl)-4H-imidazol-2-one

C15H21N3O2 — CID 79966923

IUPAC5-amino-3-(2-methoxyethyl)-4-(2,4,6-trimethylphenyl)-4H-imidazol-2-one
SMILESCOCCN1C(=O)N=C(N)C1c1c(C)cc(C)cc1C
InChIInChI=1S/C15H21N3O2/c1-9-7-10(2)12(11(3)8-9)13-14(16)17-15(19)18(13)5-6-20-4/h7-8,13H,5-6H2,1-4H3,(H2,16,17,19)
InChIKeyKPYFOAMFQIDUQC-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.09
Rot. Bonds4

About 5-amino-3-(2-methoxyethyl)-4-(2,4,6-trimethylphenyl)-4H-imidazol-2-one

5-amino-3-(2-methoxyethyl)-4-(2,4,6-trimethylphenyl)-4H-imidazol-2-one (PubChem CID 79966923) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 5-amino-3-(2-methoxyethyl)-4-(2,4,6-trimethylphenyl)-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-3-(2-methoxyethyl)-4-(2,4,6-trimethylphenyl)-4H-imidazol-2-one
PubChem CID79966923
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name5-amino-3-(2-methoxyethyl)-4-(2,4,6-trimethylphenyl)-4H-imidazol-2-one
SMILESCOCCN1C(=O)N=C(N)C1c1c(C)cc(C)cc1C
InChIInChI=1S/C15H21N3O2/c1-9-7-10(2)12(11(3)8-9)13-14(16)17-15(19)18(13)5-6-20-4/h7-8,13H,5-6H2,1-4H3,(H2,16,17,19)
InChIKeyKPYFOAMFQIDUQC-UHFFFAOYSA-N
XLogP2.09
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(2-methoxyethyl)-4-(2,4,6-trimethylphenyl)-4H-imidazol-2-one?
The IUPAC name of 5-amino-3-(2-methoxyethyl)-4-(2,4,6-trimethylphenyl)-4H-imidazol-2-one (CID 79966923) is 5-amino-3-(2-methoxyethyl)-4-(2,4,6-trimethylphenyl)-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-3-(2-methoxyethyl)-4-(2,4,6-trimethylphenyl)-4H-imidazol-2-one?
The canonical SMILES for 5-amino-3-(2-methoxyethyl)-4-(2,4,6-trimethylphenyl)-4H-imidazol-2-one is COCCN1C(=O)N=C(N)C1c1c(C)cc(C)cc1C.
What is the InChIKey of 5-amino-3-(2-methoxyethyl)-4-(2,4,6-trimethylphenyl)-4H-imidazol-2-one?
The InChIKey is KPYFOAMFQIDUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-9-7-10(2)12(11(3)8-9)13-14(16)17-15(19)18(13)5-6-20-4/h7-8,13H,5-6H2,1-4H3,(H2,16,17,19).
What are the key properties of 5-amino-3-(2-methoxyethyl)-4-(2,4,6-trimethylphenyl)-4H-imidazol-2-one?
5-amino-3-(2-methoxyethyl)-4-(2,4,6-trimethylphenyl)-4H-imidazol-2-one has a molecular weight of 275.35 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(2-methoxyethyl)-4-(2,4,6-trimethylphenyl)-4H-imidazol-2-one is sourced from PubChem (CID 79966923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).