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Home > Imidazoles > 824394-52-7
824394-52-7 | 1H-Benzimidazole-5-carbonitrile, 2-[2-(1H-imidazol-2-yl)phenyl]-
CAS No: 824394-52-7 Catalog No: AG005B4X MDL No:
Product Description
Catalog Number:
AG005B4X
Chemical Name:
1H-Benzimidazole-5-carbonitrile, 2-[2-(1H-imidazol-2-yl)phenyl]-
CAS Number:
824394-52-7
Molecular Formula:
C17H11N5
Molecular Weight:
285.3027
IUPAC Name:
2-[2-(1H-imidazol-2-yl)phenyl]-3H-benzimidazole-5-carbonitrile
InChI:
InChI=1S/C17H11N5/c18-10-11-5-6-14-15(9-11)22-17(21-14)13-4-2-1-3-12(13)16-19-7-8-20-16/h1-9H,(H,19,20)(H,21,22)
InChI Key:
RDNCOYGFPNTZBD-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)nc([nH]2)c1ccccc1c1ncc[nH]1
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.101g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
285.31g/mol
Monoisotopic Mass:
285.101g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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