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Home > Imidazoles > 114217-07-1
114217-07-1 | 2-Pentanone, 4-(1H-benzimidazol-2-ylimino)-
CAS No: 114217-07-1 Catalog No: AG000ATM MDL No:
Product Description
Catalog Number:
AG000ATM
Chemical Name:
2-Pentanone, 4-(1H-benzimidazol-2-ylimino)-
CAS Number:
114217-07-1
Molecular Formula:
C12H13N3O
Molecular Weight:
215.2511
IUPAC Name:
4-(1H-benzimidazol-2-ylimino)pentan-2-one
InChI:
InChI=1S/C12H13N3O/c1-8(7-9(2)16)13-12-14-10-5-3-4-6-11(10)15-12/h3-6H,7H2,1-2H3,(H,14,15)
InChI Key:
PKZRYDPAPPUZQE-UHFFFAOYSA-N
SMILES:
CC(=O)CC(=Nc1nc2c([nH]1)cccc2)C
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.106g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.256g/mol
Monoisotopic Mass:
215.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.3
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