200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 872002-73-8
872002-73-8 | 6-[[4-[2-[4-(1,1-Dimethylethyl)phenyl]-1H-benzimidazol-7-yl]-i-piperazinyl]methyl]-quinoxalinedihydrochloride
CAS No: 872002-73-8 Catalog No: AG00H0AQ MDL No:
Product Description
Catalog Number:
AG00H0AQ
Chemical Name:
6-[[4-[2-[4-(1,1-Dimethylethyl)phenyl]-1H-benzimidazol-7-yl]-i-piperazinyl]methyl]-quinoxalinedihydrochloride
CAS Number:
872002-73-8
Molecular Formula:
C30H34Cl2N6
Molecular Weight:
549.5372
IUPAC Name:
6-[[4-[2-(4-tert-butylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]methyl]quinoxaline;dihydrochloride
InChI:
InChI=1S/C30H32N6.2ClH/c1-30(2,3)23-10-8-22(9-11-23)29-33-25-5-4-6-27(28(25)34-29)36-17-15-35(16-18-36)20-21-7-12-24-26(19-21)32-14-13-31-24;;/h4-14,19H,15-18,20H2,1-3H3,(H,33,34);2*1H
InChI Key:
REQCNTGYEABOIT-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)c1[nH]c2c(n1)cccc2N1CCN(CC1)Cc1ccc2c(c1)nccn2)(C)C.Cl.Cl
Properties
Complexity:
707
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
548.222g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
549.544g/mol
Monoisotopic Mass:
548.222g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
60.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.