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Home > Imidazoles > 161922-05-0
161922-05-0 | 2H-Benzimidazol-2-one, 1,3-dihydro-1-(3-pyridinyl)-
CAS No: 161922-05-0 Catalog No: AG001SIP MDL No:MFCD27923782
Product Description
Catalog Number:
AG001SIP
Chemical Name:
2H-Benzimidazol-2-one, 1,3-dihydro-1-(3-pyridinyl)-
CAS Number:
161922-05-0
Molecular Formula:
C12H9N3O
Molecular Weight:
211.2194
MDL Number:
MFCD27923782
IUPAC Name:
3-pyridin-3-yl-1H-benzimidazol-2-one
InChI:
InChI=1S/C12H9N3O/c16-12-14-10-5-1-2-6-11(10)15(12)9-4-3-7-13-8-9/h1-8H,(H,14,16)
InChI Key:
PVHFMWYEVYEBCX-UHFFFAOYSA-N
SMILES:
O=c1[nH]c2c(n1c1cccnc1)cccc2
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.075g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.224g/mol
Monoisotopic Mass:
211.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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