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113597-46-9 | Pyrrolo[2,3-e]benzimidazole, 1,8-dihydro-2,6-dimethyl-7-phenyl-
CAS No: 113597-46-9 Catalog No: AG00093B MDL No:
Product Description
Catalog Number:
AG00093B
Chemical Name:
Pyrrolo[2,3-e]benzimidazole, 1,8-dihydro-2,6-dimethyl-7-phenyl-
CAS Number:
113597-46-9
Molecular Formula:
C17H15N3
Molecular Weight:
261.3211
IUPAC Name:
2,6-dimethyl-7-phenyl-3,8-dihydropyrrolo[2,3-e]benzimidazole
InChI:
InChI=1S/C17H15N3/c1-10-13-8-9-14-17(19-11(2)18-14)16(13)20-15(10)12-6-4-3-5-7-12/h3-9,20H,1-2H3,(H,18,19)
InChI Key:
YULPWEPIAMDPEU-UHFFFAOYSA-N
SMILES:
Cc1nc2c([nH]1)c1[nH]c(c(c1cc2)C)c1ccccc1
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.127g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
261.328g/mol
Monoisotopic Mass:
261.127g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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