CID 485818

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

Structural Information

Molecular Formula
C19H18N6
SMILES
C1CN=C(N1)C2=CC=C(C=C2)C3=NC4=C(N3)C=C(C=C4)C5=NCCN5
InChI
InChI=1S/C19H18N6/c1-3-13(4-2-12(1)17-20-7-8-21-17)19-24-15-6-5-14(11-16(15)25-19)18-22-9-10-23-18/h1-6,11H,7-10H2,(H,20,21)(H,22,23)(H,24,25)
InChIKey
WDGRVSMJRILKAP-UHFFFAOYSA-N
Compound name
6-(4,5-dihydro-1H-imidazol-2-yl)-2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

330.1593 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.16658 173.4
[M+Na]+ 353.14852 181.7
[M-H]- 329.15202 177.5
[M+NH4]+ 348.19312 182.9
[M+K]+ 369.12246 173.0
[M+H-H2O]+ 313.15656 162.3
[M+HCOO]- 375.15750 187.2
[M+CH3COO]- 389.17315 181.9
[M+Na-2H]- 351.13397 172.1
[M]+ 330.15875 168.6
[M]- 330.15985 168.6
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.