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68321-03-9 | 2-(biphenyl-4-ylmethyl)-1H-benzimidazole
CAS No: 68321-03-9 Catalog No: AG00JDSJ MDL No:MFCD01171481
Product Description
Catalog Number:
AG00JDSJ
Chemical Name:
2-(biphenyl-4-ylmethyl)-1H-benzimidazole
CAS Number:
68321-03-9
Molecular Formula:
C20H16N2
Molecular Weight:
284.3544
MDL Number:
MFCD01171481
IUPAC Name:
2-[(4-phenylphenyl)methyl]-1H-benzimidazole
InChI:
InChI=1S/C20H16N2/c1-2-6-16(7-3-1)17-12-10-15(11-13-17)14-20-21-18-8-4-5-9-19(18)22-20/h1-13H,14H2,(H,21,22)
InChI Key:
MZOYCNRIPAARRB-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1ccc(cc1)Cc1nc2c([nH]1)cccc2
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.131g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
284.362g/mol
Monoisotopic Mass:
284.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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