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Home > Imidazoles > 83863-67-6
83863-67-6 | 1-(3-(4-(Diphenylmethyl)-1-piperazinyl)propyl)-1,3-dihydro-3-(1-methylvinyl)-2H-benzimidazol-2-one
CAS No: 83863-67-6 Catalog No: AG004RUQ MDL No:
Product Description
Catalog Number:
AG004RUQ
Chemical Name:
1-(3-(4-(Diphenylmethyl)-1-piperazinyl)propyl)-1,3-dihydro-3-(1-methylvinyl)-2H-benzimidazol-2-one
CAS Number:
83863-67-6
Molecular Formula:
C30H34N4O
Molecular Weight:
466.6172
IUPAC Name:
1-[3-(4-benzhydrylpiperazin-1-yl)propyl]-3-prop-1-en-2-ylbenzimidazol-2-one
InChI:
InChI=1S/C30H34N4O/c1-24(2)34-28-17-10-9-16-27(28)33(30(34)35)19-11-18-31-20-22-32(23-21-31)29(25-12-5-3-6-13-25)26-14-7-4-8-15-26/h3-10,12-17,29H,1,11,18-23H2,2H3
InChI Key:
ZWSPGJJMVIEYKJ-UHFFFAOYSA-N
SMILES:
CC(=C)n1c2ccccc2n(c1=O)CCCN1CCN(CC1)C(c1ccccc1)c1ccccc1
EC Number:
281-132-8
Properties
Complexity:
687
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
466.273g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
466.629g/mol
Monoisotopic Mass:
466.273g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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