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Home > Imidazoles > 936081-42-4
936081-42-4 | 5-(1H-imidazol-1-yl)-1,3-dimethyl-6-nitro-1,3-dihydro-2H-benzimidazol-2-one
CAS No: 936081-42-4 Catalog No: AG00JH6P MDL No:MFCD10038589
Product Description
Catalog Number:
AG00JH6P
Chemical Name:
5-(1H-imidazol-1-yl)-1,3-dimethyl-6-nitro-1,3-dihydro-2H-benzimidazol-2-one
CAS Number:
936081-42-4
Molecular Formula:
C12H11N5O3
Molecular Weight:
273.2474
MDL Number:
MFCD10038589
IUPAC Name:
5-imidazol-1-yl-1,3-dimethyl-6-nitrobenzimidazol-2-one
InChI:
InChI=1S/C12H11N5O3/c1-14-8-5-10(16-4-3-13-7-16)11(17(19)20)6-9(8)15(2)12(14)18/h3-7H,1-2H3
InChI Key:
QMNCCVLHKZMTTG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2c(cc1n1cncc1)n(c(=O)n2C)C
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.086g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.252g/mol
Monoisotopic Mass:
273.086g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
87.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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