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42268-60-0 | 2-(naphthalen-1-ylmethyl)-1H-benzimidazole
CAS No: 42268-60-0 Catalog No: AG00I86W MDL No:MFCD00754353
Product Description
Catalog Number:
AG00I86W
Chemical Name:
2-(naphthalen-1-ylmethyl)-1H-benzimidazole
CAS Number:
42268-60-0
Molecular Formula:
C18H14N2
Molecular Weight:
258.3172
MDL Number:
MFCD00754353
IUPAC Name:
2-(naphthalen-1-ylmethyl)-1H-benzimidazole
InChI:
InChI=1S/C18H14N2/c1-2-9-15-13(6-1)7-5-8-14(15)12-18-19-16-10-3-4-11-17(16)20-18/h1-11H,12H2,(H,19,20)
InChI Key:
VJRPHCDQRJAVSR-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)c(ccc2)Cc1nc2c([nH]1)cccc2
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.116g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.324g/mol
Monoisotopic Mass:
258.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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