1-(3-methylbenzyl)-1H-benzo[d]imidazol-2-amine

ID: ALA2270743

Chembl Id: CHEMBL2270743

PubChem CID: 15034541

Max Phase: Preclinical

Molecular Formula: C15H15N3

Molecular Weight: 237.31

Molecule Type: Small molecule

Associated Items:

Names and Identifiers

Canonical SMILES:  Cc1cccc(Cn2c(N)nc3ccccc32)c1

Standard InChI:  InChI=1S/C15H15N3/c1-11-5-4-6-12(9-11)10-18-14-8-3-2-7-13(14)17-15(18)16/h2-9H,10H2,1H3,(H2,16,17)

Standard InChI Key:  SYJAVMOLIZVVGS-UHFFFAOYSA-N

Alternative Forms

Associated Targets(non-human)

Alternaria alternata (757 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Botrytis cinerea (4183 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Agrobacterium sp. (52 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Pseudomonas viridiflava (56 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Pseudomonas savastanoi pv. glycinea (52 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Pseudomonas savastanoi pv. phaseolicola (86 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Xanthomonas campestris pv. campestris (52 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Xanthomonas phaseoli pv. phaseoli (52 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Xanthomonas euvesicatoria (74 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Molecule Features

Natural Product: NoOral: NoChemical Probe: NoParenteral: No
Molecule Type: Small moleculeTopical: NoFirst In Class: NoBlack Box: No
Chirality: NoAvailability: NoProdrug: No

Drug Indications

MESH IDMESH Heading EFO IDsEFO TermsMax Phase for IndicationReferences

Mechanisms of Action

Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

Calculated Properties

Molecular Weight: 237.31Molecular Weight (Monoisotopic): 237.1266AlogP: 2.98#Rotatable Bonds: 2
Polar Surface Area: 43.84Molecular Species: NEUTRALHBA: 3HBD: 1
#RO5 Violations: HBA (Lipinski): 3HBD (Lipinski): 2#RO5 Violations (Lipinski):
CX Acidic pKa: CX Basic pKa: 7.59CX LogP: 3.58CX LogD: 3.19
Aromatic Rings: 3Heavy Atoms: 18QED Weighted: 0.74Np Likeness Score: -1.45

References

1. Vlaovic D, Canadanovic-Brunet J, Balaz J, Juranic I, Djokovic D, Mackenzie K.  (1992)  Synthesis, AntiBacteriol, and Antifungal Activities of Some New Benzimidazoles,  56  (2): [10.1271/bbb.56.199]

Source