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19714-17-1 | 1H-Benzimidazole, 1-(1H-indol-3-ylmethyl)-
CAS No: 19714-17-1 Catalog No: AG002AMJ MDL No:
Product Description
Catalog Number:
AG002AMJ
Chemical Name:
1H-Benzimidazole, 1-(1H-indol-3-ylmethyl)-
CAS Number:
19714-17-1
Molecular Formula:
C16H13N3
Molecular Weight:
247.2945
IUPAC Name:
1-(1H-indol-3-ylmethyl)benzimidazole
InChI:
InChI=1S/C16H13N3/c1-2-6-14-13(5-1)12(9-17-14)10-19-11-18-15-7-3-4-8-16(15)19/h1-9,11,17H,10H2
InChI Key:
QMFQEERNWCMSEI-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)n(cn2)Cc1c[nH]c2c1cccc2
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.111g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.301g/mol
Monoisotopic Mass:
247.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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