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874605-29-5 | 1H-Benzimidazole, 1-[(3-ethyl-1-methyl-1H-pyrazol-5-yl)carbonyl]-
CAS No: 874605-29-5 Catalog No: AG004KBI MDL No:
Product Description
Catalog Number:
AG004KBI
Chemical Name:
1H-Benzimidazole, 1-[(3-ethyl-1-methyl-1H-pyrazol-5-yl)carbonyl]-
CAS Number:
874605-29-5
Molecular Formula:
C14H14N4O
Molecular Weight:
254.2872
IUPAC Name:
benzimidazol-1-yl-(5-ethyl-2-methylpyrazol-3-yl)methanone
InChI:
InChI=1S/C14H14N4O/c1-3-10-8-13(17(2)16-10)14(19)18-9-15-11-6-4-5-7-12(11)18/h4-9H,3H2,1-2H3
InChI Key:
JJXJUDXJYJMQBW-UHFFFAOYSA-N
SMILES:
CCc1nn(c(c1)C(=O)n1cnc2c1cccc2)C
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.117g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.293g/mol
Monoisotopic Mass:
254.117g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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