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Home > Imidazoles > 879874-35-8
879874-35-8 | Phenol, 2-[1-(1-piperazinylmethyl)-1H-benzimidazol-2-yl]-
CAS No: 879874-35-8 Catalog No: AG008EER MDL No:
Product Description
Catalog Number:
AG008EER
Chemical Name:
Phenol, 2-[1-(1-piperazinylmethyl)-1H-benzimidazol-2-yl]-
CAS Number:
879874-35-8
Molecular Formula:
C18H20N4O
Molecular Weight:
308.3776
IUPAC Name:
2-[1-(piperazin-1-ylmethyl)benzimidazol-2-yl]phenol
InChI:
InChI=1S/C18H20N4O/c23-17-8-4-1-5-14(17)18-20-15-6-2-3-7-16(15)22(18)13-21-11-9-19-10-12-21/h1-8,19,23H,9-13H2
InChI Key:
OABGPWATRBOWEW-UHFFFAOYSA-N
SMILES:
Oc1ccccc1c1nc2c(n1CN1CCNCC1)cccc2
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.164g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
308.385g/mol
Monoisotopic Mass:
308.164g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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