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1228551-84-5 | 1-(1-Hydroxy-2-pyridin-3-yl-1H-benzimidazol-6-yl)-ethanone
CAS No: 1228551-84-5 Catalog No: AG00HH1R MDL No:MFCD16618422
Product Description
Catalog Number:
AG00HH1R
Chemical Name:
1-(1-Hydroxy-2-pyridin-3-yl-1H-benzimidazol-6-yl)-ethanone
CAS Number:
1228551-84-5
Molecular Formula:
C14H11N3O2
Molecular Weight:
253.2560
MDL Number:
MFCD16618422
IUPAC Name:
1-(3-hydroxy-2-pyridin-3-ylbenzimidazol-5-yl)ethanone
InChI:
InChI=1S/C14H11N3O2/c1-9(18)10-4-5-12-13(7-10)17(19)14(16-12)11-3-2-6-15-8-11/h2-8,19H,1H3
InChI Key:
XVLQWHOLCBBNHK-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc2c(c1)n(O)c(n2)c1cccnc1
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.085g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.261g/mol
Monoisotopic Mass:
253.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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