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194810-35-0 | 1H-Benzimidazole, 2,2'-(1,4-phenylene)bis[5-(4-methyl-1-piperazinyl)-
CAS No: 194810-35-0 Catalog No: AG0074HV MDL No:
Product Description
Catalog Number:
AG0074HV
Chemical Name:
1H-Benzimidazole, 2,2'-(1,4-phenylene)bis[5-(4-methyl-1-piperazinyl)-
CAS Number:
194810-35-0
Molecular Formula:
C30H34N8
Molecular Weight:
506.6446
IUPAC Name:
6-(4-methylpiperazin-1-yl)-2-[4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenyl]-1H-benzimidazole
InChI:
InChI=1S/C30H34N8/c1-35-11-15-37(16-12-35)23-7-9-25-27(19-23)33-29(31-25)21-3-5-22(6-4-21)30-32-26-10-8-24(20-28(26)34-30)38-17-13-36(2)14-18-38/h3-10,19-20H,11-18H2,1-2H3,(H,31,33)(H,32,34)
InChI Key:
WZXHIWDWQPAJFY-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)c1ccc2c(c1)nc([nH]2)c1ccc(cc1)c1nc2c([nH]1)ccc(c2)N1CCN(CC1)C
Properties
Complexity:
708
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
506.291g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
506.658g/mol
Monoisotopic Mass:
506.291g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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