2-[[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-benzimidazol-3-ium-2-yl]amino]ethanol

Formula:C19H25N6O Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-benzimidazol-3-ium-2-yl]amino]ethanol is a drug-like molecule.

MolName	2-[[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-benzimidazol-3-ium-2-yl]amino]ethanol
MolecularFormula	C19H25N6O
Smiles	OCCNc1[n+](CN(CC2)CCN2c2ncccc2)c(cccc2)c2[nH]1
InChI	InChI=1S/C19H24N6O/c26-14-9-21-19-22-16-5-1-2-6-17(16)25(19)15-23-10-12-24(13-11-23)18-7-3-4-8-20-18/h1-8,26H,9-15H2,(H,21,22)/p+1
InChIK	HYTPYIMKXNWKNU-UHFFFAOYSA-O
TotalMolweight	353.449
Molweight	353.449
MonoisotopicMass	353.208984
CLogP	-2.0955
CLogS	-2.414
H Acceptors	7
H Donors	3
TotalSurfaceArea	274.48
Relative PSA	0.21634
PolarSurfaceArea	71.3
Druglikeness	4.3297
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	tert. immonium
Shape Index	0.57692
Fragments	1
Non HAtoms	26
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	9
Symmetricatoms	2
Aromatic Nitrogens	3
BasicNitrogens	2
StereoCon

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