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129157-72-8 | 1H-Benzimidazole, 2-(2-methyl-1H-indol-3-yl)-
CAS No: 129157-72-8 Catalog No: AG000YWY MDL No:
Product Description
Catalog Number:
AG000YWY
Chemical Name:
1H-Benzimidazole, 2-(2-methyl-1H-indol-3-yl)-
CAS Number:
129157-72-8
Molecular Formula:
C16H13N3
Molecular Weight:
247.2945
IUPAC Name:
2-(2-methyl-1H-indol-3-yl)-1H-benzimidazole
InChI:
InChI=1S/C16H13N3/c1-10-15(11-6-2-3-7-12(11)17-10)16-18-13-8-4-5-9-14(13)19-16/h2-9,17H,1H3,(H,18,19)
InChI Key:
WITMFKCDJGLRRA-UHFFFAOYSA-N
SMILES:
Cc1[nH]c2c(c1c1nc3c([nH]1)cccc3)cccc2
Properties
Complexity:
332
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:
2
Isotope Atom Count:
0
Molecular Weight:
247.301g/mol
Monoisotopic Mass:
247.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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