(E)-3-(4-bromophenyl)-1-[2-phenyl-4-(2-piperidin-1-ylethyl)-3H-imidazo[1,2-a]benzimidazol-4-ium-1-yl]prop-2-en-1-one

Formula:C31H30N4OBr Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(4-bromophenyl)-1-[2-phenyl-4-(2-piperidin-1-ylethyl)-3H-imidazo[1,2-a]benzimidazol-4-ium-1-yl]prop-2-en-1-one is not a drug-like molecule.

MolName	(E)-3-(4-bromophenyl)-1-[2-phenyl-4-(2-piperidin-1-ylethyl)-3H-imidazo[1,2-a]benzimidazol-4-ium-1-yl]prop-2-en-1-one
MolecularFormula	C31H30N4OBr
Smiles	O=C(/C=C/c(cc1)ccc1Br)c1c(-c2ccccc2)[nH]c2[n+](CCN3CCCCC3)c(cccc3)c3n12
InChI	InChI=1S/C31H29BrN4O/c32-25-16-13-23(14-17-25)15-18-28(37)30-29(24-9-3-1-4-10-24)33-31-35(22-21-34-19-7-2-8-20-34)26-11-5-6-12-27(26)36(30)31/h1,3-6,9-18H,2,7-8,19-22H2/p+1
InChIK	JCYXRXWWBMFYSN-UHFFFAOYSA-O
TotalMolweight	554.51
Molweight	554.51
MonoisotopicMass	553.160297
CLogP	1.9558
CLogS	-6.027
H Acceptors	5
H Donors	1
TotalSurfaceArea	395.5
Relative PSA	0.1044
PolarSurfaceArea	44.39
Druglikeness	0.85833
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	tert. immonium
Shape Index	0.48649
Fragments	1
Non HAtoms	37
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	7
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	24
Sp3Atoms	8
Symmetricatoms	6
Amines	1
AlkylAmines	1
Aromatic Nitrogens	3
BasicNitrogens	1
StereoCon

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1 - (E)-3-(4-bromophenyl)-1-[2-phenyl-4-(2-piperidin-1-ylethyl)-3H-imidazo[1,2-a]benzimidazol-4-ium-1-yl]prop-2-en-1-one | 2 - (E)-3-(4-bromophenyl)-1-[2-phenyl-4-(2-piperidin-1-ylethyl)-3H-imidazo[1,2-a]benzimidazol-4-ium-1-yl]prop-2-en-1-one

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