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653573-62-7 | 1H-Benzimidazole, 2-(2,2-diphenylethenyl)-1-[2-(1-piperidinyl)ethyl]-
CAS No: 653573-62-7 Catalog No: AG006SFX MDL No:
Product Description
Catalog Number:
AG006SFX
Chemical Name:
1H-Benzimidazole, 2-(2,2-diphenylethenyl)-1-[2-(1-piperidinyl)ethyl]-
CAS Number:
653573-62-7
Molecular Formula:
C28H29N3
Molecular Weight:
407.5500
IUPAC Name:
2-(2,2-diphenylethenyl)-1-(2-piperidin-1-ylethyl)benzimidazole
InChI:
InChI=1S/C28H29N3/c1-4-12-23(13-5-1)25(24-14-6-2-7-15-24)22-28-29-26-16-8-9-17-27(26)31(28)21-20-30-18-10-3-11-19-30/h1-2,4-9,12-17,22H,3,10-11,18-21H2
InChI Key:
DQXHTBMNZGYLMP-UHFFFAOYSA-N
SMILES:
C1CCN(CC1)CCn1c(C=C(c2ccccc2)c2ccccc2)nc2c1cccc2
Properties
Complexity:
549
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
407.236g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
407.561g/mol
Monoisotopic Mass:
407.236g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
21.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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