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1281389-20-5 | 1-(1H-1,3-benzodiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline
CAS No: 1281389-20-5 Catalog No: AG01C6KL MDL No:MFCD16511443
Product Description
Catalog Number:
AG01C6KL
Chemical Name:
1-(1H-1,3-benzodiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline
CAS Number:
1281389-20-5
Molecular Formula:
C16H15N3
Molecular Weight:
249.3104
MDL Number:
MFCD16511443
IUPAC Name:
1-(1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline
InChI:
InChI=1S/C16H15N3/c1-2-6-12-11(5-1)9-10-17-15(12)16-18-13-7-3-4-8-14(13)19-16/h1-8,15,17H,9-10H2,(H,18,19)
InChI Key:
MXBOWFNYTXFRNB-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)C(NCC2)c1nc2c([nH]1)cccc2
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.127g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
249.317g/mol
Monoisotopic Mass:
249.127g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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