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Home > Imidazoles > 89634-63-9
89634-63-9 | 1H-Benzimidazole-2-methanol, 5-(3-pyridinylmethyl)-
CAS No: 89634-63-9 Catalog No: AG003W91 MDL No:
Product Description
Catalog Number:
AG003W91
Chemical Name:
1H-Benzimidazole-2-methanol, 5-(3-pyridinylmethyl)-
CAS Number:
89634-63-9
Molecular Formula:
C14H13N3O
Molecular Weight:
239.2725
IUPAC Name:
[6-(pyridin-3-ylmethyl)-1H-benzimidazol-2-yl]methanol
InChI:
InChI=1S/C14H13N3O/c18-9-14-16-12-4-3-10(7-13(12)17-14)6-11-2-1-5-15-8-11/h1-5,7-8,18H,6,9H2,(H,16,17)
InChI Key:
XXGIDAIBUZEFAQ-UHFFFAOYSA-N
SMILES:
OCc1[nH]c2c(n1)cc(cc2)Cc1cccnc1
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.106g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
239.278g/mol
Monoisotopic Mass:
239.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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