General Information of the Compound
| Compound ID |
CP0360403
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(4-methyl-benzyl)-1H-imidazole
Show/Hide
|
||||||||||||||||||
| Synonyms |
1-(4-Methylbenzyl)imidazole
1-(4-methyl-benzyl)-1H-imidazole
1-(4-methylbenzyl)-1H-imidazole
18994-86-0
1H-Imidazole, 1-[(4-methylphenyl)methyl]-
BDBM50188087
CHEMBL212741
SCHEMBL171734
ZINC35143440
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C11H12N2
|
||||||||||||||||||
| Molecular Weight |
172.231
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(Cn2ccnc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C11H12N2/c1-10-2-4-11(5-3-10)8-13-7-6-12-9-13/h2-7,9H,8H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
DQXGQHAFADWCKG-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"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). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
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: PT03119, Cytochrome P450 11B1, mitochondrial
Protein ID: PT03120, Cytochrome P450 11B2, mitochondrial
Clinical Information about the Compound