(E)-2-(1H-benzimidazol-2-yl)-3-[1-(naphthalen-1-ylmethyl)indol-3-yl]prop-2-enenitrile

Formula:C29H20N4 Mutagenic:none Tumorigenic:high Reproductive Effective:none (E)-2-(1H-benzimidazol-2-yl)-3-[1-(naphthalen-1-ylmethyl)indol-3-yl]prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-2-(1H-benzimidazol-2-yl)-3-[1-(naphthalen-1-ylmethyl)indol-3-yl]prop-2-enenitrile
MolecularFormula	C29H20N4
Smiles	N#C/C(/c1nc(cccc2)c2[nH]1)=C\c1cn(Cc2cccc3ccccc23)c2c1cccc2
InChI	InChI=1S/C29H20N4/c30-17-22(29-31-26-13-4-5-14-27(26)32-29)16-23-19-33(28-15-6-3-12-25(23)28)18-21-10-7-9-20-8-1-2-11-24(20)21/h1-16,19H,18H2,(H,31,32)
InChIK	ZMQSAZVEMRJONT-UHFFFAOYSA-N
TotalMolweight	424.506
Molweight	424.506
MonoisotopicMass	424.168796
CLogP	5.5458
CLogS	-5.708
H Acceptors	4
H Donors	1
TotalSurfaceArea	334.29
Relative PSA	0.13578
PolarSurfaceArea	57.4
Druglikeness	-1.8102
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.48485
Fragments	1
Non HAtoms	33
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	4
Rings Closures	6
Small Rings	6
Aromatic Rings	6
Aromatic Atoms	28
Sp3Atoms	1
Aromatic Nitrogens	3
BasicNitrogens	1
StereoCon

Click to Load Molecule:

1 - (E)-2-(1H-benzimidazol-2-yl)-3-[1-(naphthalen-1-ylmethyl)indol-3-yl]prop-2-enenitrile | 2 - (E)-2-(1H-benzimidazol-2-yl)-3-[1-(naphthalen-1-ylmethyl)indol-3-yl]prop-2-enenitrile

Request More Details | (E)-2-(1H-benzimidazol-2-yl)-3-[1-(naphthalen-1-ylmethyl)indol-3-yl]prop-2-enenitrile

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments