CCN1C2=C(N=CC(=C2)O)N(C1=O)C3=CC=C(C=C3)OCC4=CC=CC=C4
Name: 1-ethyl-6-hydroxy-3-(4-phenylmethoxyphenyl)imidazo[4,5-b]pyridin-2-one
SMILES: CCN1C2=C(N=CC(=C2)O)N(C1=O)C3=CC=C(C=C3)OCC4=CC=CC=C4

Molecular Processing

Molecular formula
C21H19N3O3
Molecular weight
361.4
Exact mass
361.1426
XLogP
3.49
TPSA
69.28
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
27
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
103.44

Supplementary Information

InChIKey: MAUJDTQSUSMZFH-UHFFFAOYSA-N
Synonyme
SCHEMBL9982135MAUJDTQSUSMZFH-UHFFFAOYSA-N3-[4-(benzyloxy)phenyl]-1-ethyl-6-hydroxy-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one
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