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88723-31-3 | Ethanone, 1-[2-[[2-(4-pyridinyl)ethyl]amino]-1H-imidazol-4-yl]-
CAS No: 88723-31-3 Catalog No: AG0045NK MDL No:
Product Description
Catalog Number:
AG0045NK
Chemical Name:
Ethanone, 1-[2-[[2-(4-pyridinyl)ethyl]amino]-1H-imidazol-4-yl]-
CAS Number:
88723-31-3
Molecular Formula:
C12H14N4O
Molecular Weight:
230.2658
IUPAC Name:
1-[2-(2-pyridin-4-ylethylamino)-1H-imidazol-5-yl]ethanone
InChI:
InChI=1S/C12H14N4O/c1-9(17)11-8-15-12(16-11)14-7-4-10-2-5-13-6-3-10/h2-3,5-6,8H,4,7H2,1H3,(H2,14,15,16)
InChI Key:
OLYNRIVNONHTFC-UHFFFAOYSA-N
SMILES:
CC(=O)c1c[nH]c(n1)NCCc1ccncc1
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.117g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
230.271g/mol
Monoisotopic Mass:
230.117g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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