2-amino-3-ethyl-5,5-diphenylimidazol-4-one

C17H17N3O — CID 45488103

IUPAC2-amino-3-ethyl-5,5-diphenylimidazol-4-one
SMILESCCN1C(=O)C(c2ccccc2)(c2ccccc2)N=C1N
InChIInChI=1S/C17H17N3O/c1-2-20-15(21)17(19-16(20)18,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H2,18,19)
InChIKeyNAIMLLJOOQROJZ-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.11
Rot. Bonds3

About 2-amino-3-ethyl-5,5-diphenylimidazol-4-one

2-amino-3-ethyl-5,5-diphenylimidazol-4-one (PubChem CID 45488103) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-amino-3-ethyl-5,5-diphenylimidazol-4-one.

Molecular Properties

Compound Name2-amino-3-ethyl-5,5-diphenylimidazol-4-one
PubChem CID45488103
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name2-amino-3-ethyl-5,5-diphenylimidazol-4-one
SMILESCCN1C(=O)C(c2ccccc2)(c2ccccc2)N=C1N
InChIInChI=1S/C17H17N3O/c1-2-20-15(21)17(19-16(20)18,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H2,18,19)
InChIKeyNAIMLLJOOQROJZ-UHFFFAOYSA-N
XLogP2.11
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-ethyl-5,5-diphenylimidazol-4-one?
The IUPAC name of 2-amino-3-ethyl-5,5-diphenylimidazol-4-one (CID 45488103) is 2-amino-3-ethyl-5,5-diphenylimidazol-4-one.
What is the SMILES notation for 2-amino-3-ethyl-5,5-diphenylimidazol-4-one?
The canonical SMILES for 2-amino-3-ethyl-5,5-diphenylimidazol-4-one is CCN1C(=O)C(c2ccccc2)(c2ccccc2)N=C1N.
What is the InChIKey of 2-amino-3-ethyl-5,5-diphenylimidazol-4-one?
The InChIKey is NAIMLLJOOQROJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-2-20-15(21)17(19-16(20)18,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H2,18,19).
What are the key properties of 2-amino-3-ethyl-5,5-diphenylimidazol-4-one?
2-amino-3-ethyl-5,5-diphenylimidazol-4-one has a molecular weight of 279.34 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-ethyl-5,5-diphenylimidazol-4-one is sourced from PubChem (CID 45488103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).