3-[4-[(E)-2-(1H-benzimidazol-2-yl)-3-oxo-3-phenylprop-1-enyl]-3-phenylpyrazol-1-yl]propanenitrile

Formula:C28H21N5O Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[4-[(E)-2-(1H-benzimidazol-2-yl)-3-oxo-3-phenylprop-1-enyl]-3-phenylpyrazol-1-yl]propanenitrile is a drug-like molecule.

MolName	3-[4-[(E)-2-(1H-benzimidazol-2-yl)-3-oxo-3-phenylprop-1-enyl]-3-phenylpyrazol-1-yl]propanenitrile
MolecularFormula	C28H21N5O
Smiles	N#CCCn(cc1/C=C(/C(c2ccccc2)=O)\c2nc(cccc3)c3[nH]2)nc1-c1ccccc1
InChI	InChI=1S/C28H21N5O/c29-16-9-17-33-19-22(26(32-33)20-10-3-1-4-11-20)18-23(27(34)21-12-5-2-6-13-21)28-30-24-14-7-8-15-25(24)31-28/h1-8,10-15,18-19H,9,17H2,(H,30,31)
InChIK	VKVOMFLLPQLWNC-UHFFFAOYSA-N
TotalMolweight	443.509
Molweight	443.509
MonoisotopicMass	443.17461
CLogP	3.8982
CLogS	-5.26
H Acceptors	6
H Donors	1
TotalSurfaceArea	355.12
Relative PSA	0.19543
PolarSurfaceArea	87.36
Druglikeness	-2.7584
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.41176
Fragments	1
Non HAtoms	34
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	26
Sp3Atoms	2
Symmetricatoms	4
Aromatic Nitrogens	4
BasicNitrogens	1
StereoCon

Click to Load Molecule:

1 - 3-[4-[(E)-2-(1H-benzimidazol-2-yl)-3-oxo-3-phenylprop-1-enyl]-3-phenylpyrazol-1-yl]propanenitrile | 2 - 3-[4-[(E)-2-(1H-benzimidazol-2-yl)-3-oxo-3-phenylprop-1-enyl]-3-phenylpyrazol-1-yl]propanenitrile

Request More Details | 3-[4-[(E)-2-(1H-benzimidazol-2-yl)-3-oxo-3-phenylprop-1-enyl]-3-phenylpyrazol-1-yl]propanenitrile

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments