General Information of the Compound
| Compound ID |
CP0142371
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| Compound Name |
1H-1,3-benzodiazole
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| Synonyms |
1,3-Benzodiazole
1,3-Diazaindene
1H-1,3-benzodiazole
1H-Benzimidazole
1H-Benzo[d]imidazole
1H-Benzoimidazole
3-Azaindole
51-17-2
AI3-03737
Azindole
BENZIMIDAZOLE
BRN 0109682
BZI
Benzimidazol
Benzimidazole
Benzimidazole, 98%
Benziminazole
Benzoglyoxaline
Benzoimidazole
CAS-51-17-2
CCRIS 5967
CHEBI:41275
DSSTox_CID_4573
DSSTox_GSID_24573
DSSTox_RID_77454
E24GX49LD8
EINECS 200-081-4
F3366-5347
HSDB 2797
HYZJCKYKOHLVJF-UHFFFAOYSA-N
N,N'-Methenyl-o-phenylenediamine
NSC 759
UNII-E24GX49LD8
bezimidazole
o-Benzimidazole
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| Structure |
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| Formula |
C7H6N2
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| Molecular Weight |
118.139
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| Canonical SMILES |
c1nc2ccccc2[nH]1
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| InChI |
InChI=1S/C7H6N2/c1-2-4-7-6(3-1)8-5-9-7/h1-5H,(H,8,9)
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| InChIKey |
HYZJCKYKOHLVJF-UHFFFAOYSA-N
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| CAS |
79351-71-6
51-17-2
116421-27-3
25463-25-6
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| 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
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Map of Molecular Bioactivity Related to the Compound
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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 |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT06109, Geminin
Protein ID: PT03817, Membrane primary amine oxidase
Protein ID: PT02562, Membrane primary amine oxidase
Clinical Information about the Compound