COCC(N)c1nc2cc(Cl)ccc2[nH]1
Name: 1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethanamine
SMILES: COCC(N)c1nc2cc(Cl)ccc2[nH]1

Molecular Processing

Molecular formula
C10H12ClN3O
Molecular weight
225.68
Exact mass
225.0669
XLogP
1.86
TPSA
63.93
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
15
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
59.91

Supplementary Information

InChIKey: AZHKZNFSJNANNM-UHFFFAOYSA-N
Synonyme
SCHEMBL583539AZHKZNFSJNANNM-UHFFFAOYSA-NAKOS0196483761-(5-chloro-1H-benzimidazol-2-yl)-2-methoxyethylamine
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