CID 473273

5-(2-imidazolin-2-yl)-2-[3-(5-(2-imidazolin-2-yl)benzimidazol-2-yl)phenyl]benzimidazole

Structural Information

Molecular Formula
C26H22N8
SMILES
C1CN=C(N1)C2=CC3=C(C=C2)N=C(N3)C4=CC(=CC=C4)C5=NC6=C(N5)C=C(C=C6)C7=NCCN7
InChI
InChI=1S/C26H22N8/c1-2-15(25-31-19-6-4-17(13-21(19)33-25)23-27-8-9-28-23)12-16(3-1)26-32-20-7-5-18(14-22(20)34-26)24-29-10-11-30-24/h1-7,12-14H,8-11H2,(H,27,28)(H,29,30)(H,31,33)(H,32,34)
InChIKey
AEKJGJBBFKFYOA-UHFFFAOYSA-N
Compound name
6-(4,5-dihydro-1H-imidazol-2-yl)-2-[3-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]phenyl]-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.19675 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.20403 192.5
[M+Na]+ 469.18597 201.5
[M-H]- 445.18947 199.5
[M+NH4]+ 464.23057 196.9
[M+K]+ 485.15991 190.9
[M+H-H2O]+ 429.19401 181.6
[M+HCOO]- 491.19495 203.1
[M+CH3COO]- 505.21060 199.2
[M+Na-2H]- 467.17142 187.8
[M]+ 446.19620 189.5
[M]- 446.19730 189.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.