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Home > Imidazoles > 68741-18-4
68741-18-4 | 1H-Benzimidazole,2-butyl-5-[[4-(diphenylmethyl)-1-piperazinyl]methyl]-1-ethyl-
CAS No: 68741-18-4 Catalog No: AG005O9K MDL No:MFCD00868271
Product Description
Catalog Number:
AG005O9K
Chemical Name:
1H-Benzimidazole,2-butyl-5-[[4-(diphenylmethyl)-1-piperazinyl]methyl]-1-ethyl-
CAS Number:
68741-18-4
Molecular Formula:
C31H38N4
Molecular Weight:
466.6602
MDL Number:
MFCD00868271
IUPAC Name:
5-[(4-benzhydrylpiperazin-1-yl)methyl]-2-butyl-1-ethylbenzimidazole
InChI:
InChI=1S/C31H38N4/c1-3-5-16-30-32-28-23-25(17-18-29(28)35(30)4-2)24-33-19-21-34(22-20-33)31(26-12-8-6-9-13-26)27-14-10-7-11-15-27/h6-15,17-18,23,31H,3-5,16,19-22,24H2,1-2H3
InChI Key:
WLYWZMQECNKDLI-UHFFFAOYSA-N
SMILES:
CCCCc1nc2c(n1CC)ccc(c2)CN1CCN(CC1)C(c1ccccc1)c1ccccc1
UNII:
N8516V0WOM
NSC Number:
328504
Properties
Complexity:
587
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
466.31g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
466.673g/mol
Monoisotopic Mass:
466.31g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
24.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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