C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCCN4C5=C(C=CC(=C5)Cl)NC4=O
Nombre: 5-chloro-3-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-1H-benzimidazol-2-one
SMILES: C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCCN4C5=C(C=CC(=C5)Cl)NC4=O

Molecular Processing

Molecular formula
C22H24ClN5O2
Molecular weight
425.92
Exact mass
425.1619
XLogP
3.35
TPSA
78.82
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
30
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
119.46

Supplementary Information

InChIKey: JSEDYWXPIDHLOA-UHFFFAOYSA-N
Sinónimos
SCHEMBL11510948JSEDYWXPIDHLOA-UHFFFAOYSA-N6-chloro-1,3-dihydro-1-{3-[4-(1,3-dihydro-2-oxo-2H-benzimidazol-1-yl)-1-piperidinyl]propyl}-2H-benzimidazol-2-one
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