8-(1-Cyclohexyl-1H-benzo[d]imidazole-6-yl)-6-phenylimidazo[1,2-a]pyrazine

ID: ALA5271305

Chembl Id: CHEMBL5271305

Max Phase: Preclinical

Molecular Formula: C25H23N5

Molecular Weight: 393.49

Names and Identifiers

Canonical SMILES:  c1ccc(-c2cn3ccnc3c(-c3ccc4ncn(C5CCCCC5)c4c3)n2)cc1

Standard InChI:  InChI=1S/C25H23N5/c1-3-7-18(8-4-1)22-16-29-14-13-26-25(29)24(28-22)19-11-12-21-23(15-19)30(17-27-21)20-9-5-2-6-10-20/h1,3-4,7-8,11-17,20H,2,5-6,9-10H2

Standard InChI Key:  KIKTVYLBIUMUSU-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA5271305

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Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type:

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 393.49

Molecular Weight (Monoisotopic): 393.1953

AlogP: 5.92

#Rotatable Bonds: 3

Polar Surface Area: 48.01

Molecular Species: NEUTRAL

HBA: 5

HBD: 0

#RO5 Violations: 1

HBA (Lipinski): 5

HBD (Lipinski): 0

#RO5 Violations (Lipinski): 1

CX Acidic pKa:

CX Basic pKa: 5.03

CX LogP: 4.92

CX LogD: 4.92

Aromatic Rings: 5

Heavy Atoms: 30

QED Weighted: 0.38

Np Likeness Score: -1.20

References

1. Singh I, Luxami V, Paul K..  (2019)  Effective synthesis of benzimidazoles-imidazo[1,2-a]pyrazine conjugates: A comparative study of mono-and bis-benzimidazoles for antitumor activity.,  180  [PMID:31344614] [10.1016/j.ejmech.2019.07.042]

Source

Source(1):

• Scientific Literature