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820242-65-7 | 1H-Benzimidazole-5-carboxamide, 2-(4-nitrophenyl)-N-phenyl-
CAS No: 820242-65-7 Catalog No: AG004Y67 MDL No:
Product Description
Catalog Number:
AG004Y67
Chemical Name:
1H-Benzimidazole-5-carboxamide, 2-(4-nitrophenyl)-N-phenyl-
CAS Number:
820242-65-7
Molecular Formula:
C20H14N4O3
Molecular Weight:
358.3502
IUPAC Name:
2-(4-nitrophenyl)-N-phenyl-3H-benzimidazole-5-carboxamide
InChI:
InChI=1S/C20H14N4O3/c25-20(21-15-4-2-1-3-5-15)14-8-11-17-18(12-14)23-19(22-17)13-6-9-16(10-7-13)24(26)27/h1-12H,(H,21,25)(H,22,23)
InChI Key:
ZCEKJMJJYXCQSP-UHFFFAOYSA-N
SMILES:
O=C(c1ccc2c(c1)nc([nH]2)c1ccc(cc1)[N+](=O)[O-])Nc1ccccc1
Properties
Complexity:
538
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.107g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
358.357g/mol
Monoisotopic Mass:
358.107g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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