(E)-2-(1H-benzimidazol-2-yl)-N-(furan-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide

Formula:C22H16N3O2F3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-(1H-benzimidazol-2-yl)-N-(furan-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide is a drug-like molecule.

MolName	(E)-2-(1H-benzimidazol-2-yl)-N-(furan-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
MolecularFormula	C22H16N3O2F3
Smiles	O=C(/C(/c1nc(cccc2)c2[nH]1)=C/c1cccc(C(F)(F)F)c1)NCc1ccco1
InChI	InChI=1S/C22H16F3N3O2/c23-22(24,25)15-6-3-5-14(11-15)12-17(21(29)26-13-16-7-4-10-30-16)20-27-18-8-1-2-9-19(18)28-20/h1-12H,13H2,(H,26,29)(H,27,28)
InChIK	VINPCDGKFFXKCS-UHFFFAOYSA-N
TotalMolweight	411.382
Molweight	411.382
MonoisotopicMass	411.119461
CLogP	3.7086
CLogS	-4.226
H Acceptors	5
H Donors	2
TotalSurfaceArea	302.54
Relative PSA	0.21012
PolarSurfaceArea	70.92
Druglikeness	-4.1323
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.43333
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	2
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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