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20208-21-3 | 1H-Benzimidazole-1-ethanol, 2-[2-(1H-benzimidazol-2-yl)ethenyl]-
CAS No: 20208-21-3 Catalog No: AG00281C MDL No:
Product Description
Catalog Number:
AG00281C
Chemical Name:
1H-Benzimidazole-1-ethanol, 2-[2-(1H-benzimidazol-2-yl)ethenyl]-
CAS Number:
20208-21-3
Molecular Formula:
C18H16N4O
Molecular Weight:
304.3458
IUPAC Name:
2-[2-[(E)-2-(1H-benzimidazol-2-yl)ethenyl]benzimidazol-1-yl]ethanol
InChI:
InChI=1S/C18H16N4O/c23-12-11-22-16-8-4-3-7-15(16)21-18(22)10-9-17-19-13-5-1-2-6-14(13)20-17/h1-10,23H,11-12H2,(H,19,20)/b10-9+
InChI Key:
ZZQQXWDSSMQERZ-MDZDMXLPSA-N
SMILES:
OCCn1c(C=Cc2[nH]c3c(n2)cccc3)nc2c1cccc2
UNII:
8IKF97J963
NSC Number:
103701
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
304.132g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
304.353g/mol
Monoisotopic Mass:
304.132g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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