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116121-25-6 | 1H-Benzimidazol-2-amine, 1-ethyl-N-phenyl-
CAS No: 116121-25-6 Catalog No: AG000BOR MDL No:
Product Description
Catalog Number:
AG000BOR
Chemical Name:
1H-Benzimidazol-2-amine, 1-ethyl-N-phenyl-
CAS Number:
116121-25-6
Molecular Formula:
C15H15N3
Molecular Weight:
237.2997
IUPAC Name:
1-ethyl-N-phenylbenzimidazol-2-amine
InChI:
InChI=1S/C15H15N3/c1-2-18-14-11-7-6-10-13(14)17-15(18)16-12-8-4-3-5-9-12/h3-11H,2H2,1H3,(H,16,17)
InChI Key:
KYKKYOKDYUPYHS-UHFFFAOYSA-N
SMILES:
CCn1c(Nc2ccccc2)nc2c1cccc2
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.127g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.306g/mol
Monoisotopic Mass:
237.127g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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