Name: Name:2-(1H-1,3-benzodiazol-2-yl)-3-{[3-(trifluoromethyl)phenyl]amino}prop-2-enenitrile
Brand: Angene
SKU: AG01B5FR
Rating: 90 (10 reviews)

2-(1H-1,3-benzodiazol-2-yl)-3-{[3-(trifluoromethyl)phenyl]amino}prop-2-enenitrile

CAS No.:

244167-61-1

Catalog Number:

AG01B5FR

Molecular Formula:

C17H11F3N4

Molecular Weight:

328.2912

Catalog Number:

AG01B5FR

Chemical Name:

2-(1H-1,3-benzodiazol-2-yl)-3-{[3-(trifluoromethyl)phenyl]amino}prop-2-enenitrile

CAS Number:

244167-61-1

Molecular Formula:

C17H11F3N4

Molecular Weight:

328.2912

MDL Number:

MFCD00108585

IUPAC Name:

2-(1H-benzimidazol-2-yl)-3-[3-(trifluoromethyl)anilino]prop-2-enenitrile

InChI:

InChI=1S/C17H11F3N4/c18-17(19,20)12-4-3-5-13(8-12)22-10-11(9-21)16-23-14-6-1-2-7-15(14)24-16/h1-8,10,22H,(H,23,24)

InChI Key:

RUAQIBPYCFKAOL-UHFFFAOYSA-N

SMILES:

N#CC(=CNc1cccc(c1)C(F)(F)F)c1nc2c([nH]1)cccc2

Complexity:

522

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

328.094g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

328.298g/mol

Monoisotopic Mass:

328.094g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

64.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.4