General Information of the Compound
Compound ID
CP0039686
Compound Name
1-methyl-4,4-diphenyl-4,5-dihydro-1H-imidazol-2-amine
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Synonyms
1-methyl-4,4-diphenyl-4,5-dihydro-1H-imidazol-2-amine
2-Imino-3-methyl-5,5-diphenyl-imidazolidin-4-one
2-Imino-3-methyl-5,5-diphenylimidazolidin-4-one
2-amino-3-methyl-5,5-diphenyl-3,5-dihydro-imidazol-4-one
26975-80-4
5,5-Diphenyl-2-iminohydantoin
BDBM50300229
CHEMBL291784
SCHEMBL4237550
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Structure
Formula
C16H15N3O
Molecular Weight
265.316
Canonical SMILES
CN1C(N)=NC(C1=O)(c1ccccc1)c1ccccc1
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InChI
InChI=1S/C16H15N3O/c1-19-14(20)16(18-15(19)17,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3,(H2,17,18)
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InChIKey
RNWLAFWLSSMCLN-UHFFFAOYSA-N
Physicochemical Property
logP
1.7169
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
58.69
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
20

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 15054176
SID: 87556171
ChEMBL ID
CHEMBL291784
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01151, Amyloid-beta precursor protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
EC50 = 4170 nM
   TI
   LI
   LO
   TS
Protein ID: PT01020, Beta-secretase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
EC50 = 3400 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 3400 nM
2 IC50 = 3440 nM
3 IC50 = 3443.5 nM
4 IC50 = 3600 nM
5 IC50 = 7100 nM
Clinical Information about the Compound
Drug 1 ( 5,5-Diphenyl-2-iminohydantoin )
Drug Name 5,5-Diphenyl-2-iminohydantoin