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284678-97-3 | Phenol, 4-chloro-2-[phenyl[2-(2-pyridinyl)-1H-benzimidazol-1-yl]methyl]-
CAS No: 284678-97-3 Catalog No: AG002VF2 MDL No:
Product Description
Catalog Number:
AG002VF2
Chemical Name:
Phenol, 4-chloro-2-[phenyl[2-(2-pyridinyl)-1H-benzimidazol-1-yl]methyl]-
CAS Number:
284678-97-3
Molecular Formula:
C25H18ClN3O
Molecular Weight:
411.8829
IUPAC Name:
4-chloro-2-[phenyl-(2-pyridin-2-ylbenzimidazol-1-yl)methyl]phenol
InChI:
InChI=1S/C25H18ClN3O/c26-18-13-14-23(30)19(16-18)24(17-8-2-1-3-9-17)29-22-12-5-4-10-20(22)28-25(29)21-11-6-7-15-27-21/h1-16,24,30H
InChI Key:
ZBCDZJSRJWKZSH-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)C(n1c(nc2c1cccc2)c1ccccn1)c1ccccc1)O
Properties
Complexity:
557
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
411.114g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
411.889g/mol
Monoisotopic Mass:
411.114g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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