Nombre: 2-(phenoxymethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazole-5-carboxylic acid

SMILES: C1=CC=C(C=C1)OCC2=NC3=C(N2CC4=CC=C(C=C4)OC(F)(F)F)C=CC(=C3)C(=O)O

Molecular Processing

Molecular formula

C23H17F3N2O4

Molecular weight

442.39

Exact mass

442.114

XLogP

5.26

TPSA

73.58

H-bond donors

H-bond acceptors

Rotatable bonds

Heavy atoms

Rings

Aromatic rings

Saturated rings

Aliphatic rings

Stereo centers

Undefined stereo

Formal charge

Heteroatoms

Covalent units

Fraction Csp3

0.13

Molar refractivity

109.69

Supplementary Information

InChIKey: KHUNXZZSYQFPRV-UHFFFAOYSA-N

Sinónimos

2-phenoxymethyl-1-(4-trifluoromethoxy-benzyl)-1H-benzoimidazole-5-carboxylic acidSCHEMBL2977135