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

C22H19N3O — CID 59387062

IUPAC2-amino-3-benzyl-5,5-diphenylimidazol-4-one
SMILESNC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C22H19N3O/c23-21-24-22(18-12-6-2-7-13-18,19-14-8-3-9-15-19)20(26)25(21)16-17-10-4-1-5-11-17/h1-15H,16H2,(H2,23,24)
InChIKeyONFHIQFDJACLRA-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.29
Rot. Bonds4

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

2-amino-3-benzyl-5,5-diphenylimidazol-4-one (PubChem CID 59387062) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-amino-3-benzyl-5,5-diphenylimidazol-4-one.

Molecular Properties

Compound Name2-amino-3-benzyl-5,5-diphenylimidazol-4-one
PubChem CID59387062
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC Name2-amino-3-benzyl-5,5-diphenylimidazol-4-one
SMILESNC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C22H19N3O/c23-21-24-22(18-12-6-2-7-13-18,19-14-8-3-9-15-19)20(26)25(21)16-17-10-4-1-5-11-17/h1-15H,16H2,(H2,23,24)
InChIKeyONFHIQFDJACLRA-UHFFFAOYSA-N
XLogP3.29
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-benzyl-5,5-diphenylimidazol-4-one?
The IUPAC name of 2-amino-3-benzyl-5,5-diphenylimidazol-4-one (CID 59387062) is 2-amino-3-benzyl-5,5-diphenylimidazol-4-one.
What is the SMILES notation for 2-amino-3-benzyl-5,5-diphenylimidazol-4-one?
The canonical SMILES for 2-amino-3-benzyl-5,5-diphenylimidazol-4-one is NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1ccccc1.
What is the InChIKey of 2-amino-3-benzyl-5,5-diphenylimidazol-4-one?
The InChIKey is ONFHIQFDJACLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O/c23-21-24-22(18-12-6-2-7-13-18,19-14-8-3-9-15-19)20(26)25(21)16-17-10-4-1-5-11-17/h1-15H,16H2,(H2,23,24).
What are the key properties of 2-amino-3-benzyl-5,5-diphenylimidazol-4-one?
2-amino-3-benzyl-5,5-diphenylimidazol-4-one has a molecular weight of 341.41 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-benzyl-5,5-diphenylimidazol-4-one is sourced from PubChem (CID 59387062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).