Tris((1H-benzo[d]imidazol-2-yl)methyl)amine

Catalog Number	ACM64019574-1
CAS	64019-57-4
Structure
Synonyms	Tris(2-benzimidazolylmethyl)amine
IUPAC Name	1-(1H-benzimidazol-2-yl)-N,N-bis(1H-benzimidazol-2-ylmethyl)methanamine
Molecular Weight	407.47
Molecular Formula	C24H21N7
Canonical SMILES	C1=CC=C2C(=C1)NC(=N2)CN(CC3=NC4=CC=CC=C4N3)CC5=NC6=CC=CC=C6N5
InChI	YQIGEJHOYBUSLR-UHFFFAOYSA-N
InChI Key	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)
Boiling Point	277-281 °C-lit.
Melting Point	277-281 °C-lit.
Purity	98%
Appearance	White solid
Exact Mass	407.18584370
Heavy Atom Count	31
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Monoisotopic Mass	407.18584370
Rotatable Bond Count	6
Topological Polar Surface Area	89.3 Ų