General Information of the Compound
Compound ID
CP0442478
Compound Name
4-(2-phenyl-1H-benzo[d]imidazol-1-yl)phenol
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Synonyms
4-(2-phenyl-1H-benzo[d]imidazol-1-yl)phenol
CHEMBL200483
SCHEMBL6440186
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Structure
Formula
C19H14N2O
Molecular Weight
286.334
Canonical SMILES
Oc1ccc(cc1)-n1c(nc2ccccc12)-c1ccccc1
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InChI
InChI=1S/C19H14N2O/c22-16-12-10-15(11-13-16)21-18-9-5-4-8-17(18)20-19(21)14-6-2-1-3-7-14/h1-13,22H
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InChIKey
MXMPRHRVFXJSFN-UHFFFAOYSA-N
Physicochemical Property
logP
4.3981
Rotatable Bonds
2
Heavy Atom Count
22
Polar Areas
38.05
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
22

"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: 44405888
ChEMBL ID
CHEMBL200483
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: PT00886, Estrogen receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
IC50 = 1800 nM
   TI
   LI
   LO
   TS
Protein ID: PT00889, Estrogen receptor beta
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
IC50 = 137 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 4-(2-phenyl-1H-benzo[d]imidazol-1-yl)phenol )
Drug Name 4-(2-phenyl-1H-benzo[d]imidazol-1-yl)phenol
Target(s)
Estrogen receptor (ESR)
Inhibitor
Estrogen receptor beta (ESR2)
Inhibitor