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Home > Imidazoles > 81333-63-3
81333-63-3 | ethyl 2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)nicotinate
CAS No: 81333-63-3 Catalog No: AG00JCAM MDL No:MFCD00233483
Product Description
Catalog Number:
AG00JCAM
Chemical Name:
ethyl 2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)nicotinate
CAS Number:
81333-63-3
Molecular Formula:
C15H19N3O3
Molecular Weight:
289.3297
MDL Number:
MFCD00233483
IUPAC Name:
ethyl 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate
InChI:
InChI=1S/C15H19N3O3/c1-5-21-13(19)10-7-6-8-16-11(10)12-17-14(20)15(4,18-12)9(2)3/h6-9H,5H2,1-4H3,(H,17,18,20)
InChI Key:
VWDGXQDVFNTPCC-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cccnc1C1=NC(C(=O)N1)(C)C(C)C
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.143g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.335g/mol
Monoisotopic Mass:
289.143g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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