Synonyms
(BimH)3; AKOS016003180; AX8232872; KS-000017O4; ZINC8617147; GNF-Pf-197; BP-21004; SS-4794; ST51006844; tris((1H-benzo[d]imidazol-2-yl)methyl)amine;
IUPAC Name
1-(1H-benzimidazol-2-yl)-N,N-bis(1H-benzimidazol-2-ylmethyl)methanamine;
Molecular Weight
407.481g/mol
Molecular Formula
C24H21N7;
Canonical SMILES
C1=CC=C2C(=C1)NC(=N2)CN(CC3=NC4=CC=CC=C4N3)CC5=NC6=CC=CC=C6N5;
InChI
InChI=1S/C24H21N7/c1-2-8-17-16(7-1)25-22(26-17)13-31(14-23-27-18-9-3-4-10-19(18)28-23)15-24-29-20-11-5-6-12-21(20)30-24/h1-12H,13-15H2,(H,25,26)(H,27,28)(H,29,30);
InChI Key
YQIGEJHOYBUSLR-UHFFFAOYSA-N;
Complexity
522
Covalently-Bonded Unit Count
1
Exact Mass
407.186g/mol
H-Bond Acceptor
4
H-Bond Donor
3
Heavy Atom Count
31
Monoisotopic Mass
407.186g/mol
Rotatable Bond Count
6
Topological Polar Surface Area
89.3A^2
