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Home > Imidazoles > 825619-29-2
825619-29-2 | 1H-Benzimidazole, 5-(4-morpholinylmethyl)-2-(4-nitro-1H-pyrazol-3-yl)-
CAS No: 825619-29-2 Catalog No: AG00540H MDL No:
Product Description
Catalog Number:
AG00540H
Chemical Name:
1H-Benzimidazole, 5-(4-morpholinylmethyl)-2-(4-nitro-1H-pyrazol-3-yl)-
CAS Number:
825619-29-2
Molecular Formula:
C15H16N6O3
Molecular Weight:
328.3259
IUPAC Name:
4-[[2-(4-nitro-1H-pyrazol-5-yl)-3H-benzimidazol-5-yl]methyl]morpholine
InChI:
InChI=1S/C15H16N6O3/c22-21(23)13-8-16-19-14(13)15-17-11-2-1-10(7-12(11)18-15)9-20-3-5-24-6-4-20/h1-2,7-8H,3-6,9H2,(H,16,19)(H,17,18)
InChI Key:
OQQIOPRGBAMXDX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c[nH]nc1c1[nH]c2c(n1)cc(cc2)CN1CCOCC1
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.128g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
328.332g/mol
Monoisotopic Mass:
328.128g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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