2-[(E)-2-(4-chlorophenyl)ethenyl]-1-[(2,5-dichlorophenyl)methyl]benzimidazole

Formula:C22H15N2Cl3 Mutagenic:none Tumorigenic:high Reproductive Effective:high 2-[(E)-2-(4-chlorophenyl)ethenyl]-1-[(2,5-dichlorophenyl)methyl]benzimidazole is not a drug-like molecule.

MolName	2-[(E)-2-(4-chlorophenyl)ethenyl]-1-[(2,5-dichlorophenyl)methyl]benzimidazole
MolecularFormula	C22H15N2Cl3
Smiles	Clc1ccc(/C=C/c2nc(cccc3)c3n2Cc(cc(cc2)Cl)c2Cl)cc1
InChI	InChI=1S/C22H15Cl3N2/c23-17-8-5-15(6-9-17)7-12-22-26-20-3-1-2-4-21(20)27(22)14-16-13-18(24)10-11-19(16)25/h1-13H,14H2
InChIK	JXVHBBABVSINPS-UHFFFAOYSA-N
TotalMolweight	413.734
Molweight	413.734
MonoisotopicMass	412.030079
CLogP	6.664
CLogS	-5.908
H Acceptors	2
TotalSurfaceArea	301.86
Relative PSA	0.0591
PolarSurfaceArea	17.82
Druglikeness	2.0768
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.51852
Fragments	1
Non HAtoms	27
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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