Home Other Building Blocks 3-(1H-1,3-benzodiazol-1-ylmethyl)aniline

3-(1H-1,3-benzodiazol-1-ylmethyl)aniline

CAS No.:
562803-83-2
Catalog Number:
AG01AH4U
Molecular Formula:
C14H13N3
Molecular Weight:
223.2731
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01AH4U
Chemical Name:
3-(1H-1,3-benzodiazol-1-ylmethyl)aniline
CAS Number:
562803-83-2
Molecular Formula:
C14H13N3
Molecular Weight:
223.2731
MDL Number:
MFCD09812505
IUPAC Name:
3-(benzimidazol-1-ylmethyl)aniline
InChI:
InChI=1S/C14H13N3/c15-12-5-3-4-11(8-12)9-17-10-16-13-6-1-2-7-14(13)17/h1-8,10H,9,15H2
InChI Key:
PBCMAQMJRXLGTE-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)Cn1cnc2c1cccc2
Properties
Complexity:
256  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.111g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
223.279g/mol
Monoisotopic Mass:
223.111g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Literature
Title Journal
A structure-permeability study of small drug-like molecules. Bioorganic & medicinal chemistry letters 20030224
Properties