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89174-94-7 | Methanone, (5-amino-2-methyl-1-phenyl-1H-benzimidazol-4-yl)phenyl-
CAS No: 89174-94-7 Catalog No: AG003WAC MDL No:
Product Description
Catalog Number:
AG003WAC
Chemical Name:
Methanone, (5-amino-2-methyl-1-phenyl-1H-benzimidazol-4-yl)phenyl-
CAS Number:
89174-94-7
Molecular Formula:
C21H17N3O
Molecular Weight:
327.3792
IUPAC Name:
(5-amino-2-methyl-1-phenylbenzimidazol-4-yl)-phenylmethanone
InChI:
InChI=1S/C21H17N3O/c1-14-23-20-18(24(14)16-10-6-3-7-11-16)13-12-17(22)19(20)21(25)15-8-4-2-5-9-15/h2-13H,22H2,1H3
InChI Key:
AWDKMBYSQMVNSJ-UHFFFAOYSA-N
SMILES:
Cc1nc2c(n1c1ccccc1)ccc(c2C(=O)c1ccccc1)N
Properties
Complexity:
470
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.137g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
327.387g/mol
Monoisotopic Mass:
327.137g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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