2-amino-5,5-diphenyl-3-(2-phenylbutyl)imidazol-4-one

C25H25N3O — CID 44530662

IUPAC2-amino-5,5-diphenyl-3-(2-phenylbutyl)imidazol-4-one
SMILESCCC(CN1C(=O)C(c2ccccc2)(c2ccccc2)N=C1N)c1ccccc1
InChIInChI=1S/C25H25N3O/c1-2-19(20-12-6-3-7-13-20)18-28-23(29)25(27-24(28)26,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17,19H,2,18H2,1H3,(H2,26,27)
InChIKeyPSNGTIQWNUJCAN-UHFFFAOYSA-N
MW383.50 g/mol
LogP4.28
Rot. Bonds6

About 2-amino-5,5-diphenyl-3-(2-phenylbutyl)imidazol-4-one

2-amino-5,5-diphenyl-3-(2-phenylbutyl)imidazol-4-one (PubChem CID 44530662) has the molecular formula C25H25N3O and a molecular weight of 383.50 g/mol. Its IUPAC name is 2-amino-5,5-diphenyl-3-(2-phenylbutyl)imidazol-4-one.

Molecular Properties

Compound Name2-amino-5,5-diphenyl-3-(2-phenylbutyl)imidazol-4-one
PubChem CID44530662
Molecular FormulaC25H25N3O
Molecular Weight383.50 g/mol
Exact Mass383.20
IUPAC Name2-amino-5,5-diphenyl-3-(2-phenylbutyl)imidazol-4-one
SMILESCCC(CN1C(=O)C(c2ccccc2)(c2ccccc2)N=C1N)c1ccccc1
InChIInChI=1S/C25H25N3O/c1-2-19(20-12-6-3-7-13-20)18-28-23(29)25(27-24(28)26,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17,19H,2,18H2,1H3,(H2,26,27)
InChIKeyPSNGTIQWNUJCAN-UHFFFAOYSA-N
XLogP4.28
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5,5-diphenyl-3-(2-phenylbutyl)imidazol-4-one?
The IUPAC name of 2-amino-5,5-diphenyl-3-(2-phenylbutyl)imidazol-4-one (CID 44530662) is 2-amino-5,5-diphenyl-3-(2-phenylbutyl)imidazol-4-one.
What is the SMILES notation for 2-amino-5,5-diphenyl-3-(2-phenylbutyl)imidazol-4-one?
The canonical SMILES for 2-amino-5,5-diphenyl-3-(2-phenylbutyl)imidazol-4-one is CCC(CN1C(=O)C(c2ccccc2)(c2ccccc2)N=C1N)c1ccccc1.
What is the InChIKey of 2-amino-5,5-diphenyl-3-(2-phenylbutyl)imidazol-4-one?
The InChIKey is PSNGTIQWNUJCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O/c1-2-19(20-12-6-3-7-13-20)18-28-23(29)25(27-24(28)26,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17,19H,2,18H2,1H3,(H2,26,27).
What are the key properties of 2-amino-5,5-diphenyl-3-(2-phenylbutyl)imidazol-4-one?
2-amino-5,5-diphenyl-3-(2-phenylbutyl)imidazol-4-one has a molecular weight of 383.50 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5,5-diphenyl-3-(2-phenylbutyl)imidazol-4-one is sourced from PubChem (CID 44530662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).