Name: ethyl 4-[[1-[(2-pyridinyl)methyl]-1H-benzimidazol-2-yl]amino]-1-piperidinecarboxylate
SMILES:
CCOC(=O)N1CCC(Nc2nc3ccccc3n2Cc2ccccn2)CC1Molecular Processing
Molecular formula
C21H25N5O2
Molecular weight
379.46
Exact mass
379.2008
XLogP
3.51
TPSA
72.28
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
28
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
108.31
Supplementary Information
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Involved in 15 reactions→