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Home > Imidazoles > 102342-74-5
102342-74-5 | Methanone, bis(1H-benzimidazol-5-yl)- (9CI)
CAS No: 102342-74-5 Catalog No: AG00078B MDL No:
Product Description
Catalog Number:
AG00078B
Chemical Name:
Methanone, bis(1H-benzimidazol-5-yl)- (9CI)
CAS Number:
102342-74-5
Molecular Formula:
C15H10N4O
Molecular Weight:
262.2661
IUPAC Name:
bis(3H-benzimidazol-5-yl)methanone
InChI:
InChI=1S/C15H10N4O/c20-15(9-1-3-11-13(5-9)18-7-16-11)10-2-4-12-14(6-10)19-8-17-12/h1-8H,(H,16,18)(H,17,19)
InChI Key:
NLAUDUSZZPEUAU-UHFFFAOYSA-N
SMILES:
O=C(c1ccc2c(c1)nc[nH]2)c1ccc2c(c1)nc[nH]2
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.085g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
262.272g/mol
Monoisotopic Mass:
262.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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