CID 3007945

6-(4,5-dihydro-1h-imidazol-2-yl)-2-[4-[2-(4-ethylphenyl)ethyl]phenyl]-1h-benzimidazole

Structural Information

Molecular Formula
C26H26N4
SMILES
CCC1=CC=C(C=C1)CCC2=CC=C(C=C2)C3=NC4=C(N3)C=C(C=C4)C5=NCCN5
InChI
InChI=1S/C26H26N4/c1-2-18-3-5-19(6-4-18)7-8-20-9-11-21(12-10-20)26-29-23-14-13-22(17-24(23)30-26)25-27-15-16-28-25/h3-6,9-14,17H,2,7-8,15-16H2,1H3,(H,27,28)(H,29,30)
InChIKey
DYJVLOHLETTYJW-UHFFFAOYSA-N
Compound name
6-(4,5-dihydro-1H-imidazol-2-yl)-2-[4-[2-(4-ethylphenyl)ethyl]phenyl]-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

394.21576 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.22304 196.7
[M+Na]+ 417.20498 204.3
[M-H]- 393.20848 203.2
[M+NH4]+ 412.24958 205.2
[M+K]+ 433.17892 193.9
[M+H-H2O]+ 377.21302 184.8
[M+HCOO]- 439.21396 212.4
[M+CH3COO]- 453.22961 204.6
[M+Na-2H]- 415.19043 195.8
[M]+ 394.21521 195.0
[M]- 394.21631 195.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.