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247094-66-2 | 1H-Benzimidazole, 1-(4-methylphenyl)-2-[4-(methylsulfonyl)phenyl]-
CAS No: 247094-66-2 Catalog No: AG002P4C MDL No:
Product Description
Catalog Number:
AG002P4C
Chemical Name:
1H-Benzimidazole, 1-(4-methylphenyl)-2-[4-(methylsulfonyl)phenyl]-
CAS Number:
247094-66-2
Molecular Formula:
C21H18N2O2S
Molecular Weight:
362.4448
IUPAC Name:
1-(4-methylphenyl)-2-(4-methylsulfonylphenyl)benzimidazole
InChI:
InChI=1S/C21H18N2O2S/c1-15-7-11-17(12-8-15)23-20-6-4-3-5-19(20)22-21(23)16-9-13-18(14-10-16)26(2,24)25/h3-14H,1-2H3
InChI Key:
SHUCDULVGNUDMW-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)n1c(nc2c1cccc2)c1ccc(cc1)S(=O)(=O)C
Properties
Complexity:
571
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.109g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
362.447g/mol
Monoisotopic Mass:
362.109g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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