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Home > Imidazoles > 1799434-47-1
1799434-47-1 | Phenol, 2-methoxy-4-[5-(4-pyridinyl)-1H-benzimidazol-1-yl]-
CAS No: 1799434-47-1 Catalog No: AG0021HH MDL No:
Product Description
Catalog Number:
AG0021HH
Chemical Name:
Phenol, 2-methoxy-4-[5-(4-pyridinyl)-1H-benzimidazol-1-yl]-
CAS Number:
1799434-47-1
Molecular Formula:
C19H15N3O2
Molecular Weight:
317.3413
IUPAC Name:
2-methoxy-4-(5-pyridin-4-ylbenzimidazol-1-yl)phenol
InChI:
InChI=1S/C19H15N3O2/c1-24-19-11-15(3-5-18(19)23)22-12-21-16-10-14(2-4-17(16)22)13-6-8-20-9-7-13/h2-12,23H,1H3
InChI Key:
WREPXAGGXIQFCZ-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1O)n1cnc2c1ccc(c2)c1ccncc1
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.116g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
317.348g/mol
Monoisotopic Mass:
317.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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