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BMS-351

CAT: 0013-GTR19209000-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209000-01Size:25 mg
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Description
BMS-351
CAS Number
1370001-71-0
Field of Research
Metabolism Research
Smiles
C (C (F) (F) F) N1C=2C (=C (C=CC2) C=3C (C) =CC=NC3) N=C1
Molecular Formula
C15H12F3N3
Molecular Weight
291.27
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-(4-Methylpyridin-3-yl)-1-(2,2,2-trifluoroethyl)benzimidazole
CAS Number1370001-71-0
PubChem CID56949328
IUPAC Name4-(4-methyl-3-pyridinyl)-1-(2,2,2-trifluoroethyl)benzimidazole
Molecular FormulaC15H12F3N3
Molecular Weight291.27
XLogP3.4
Topological Polar Surface Area30.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity361
SMILES
CC1=C(C=NC=C1)C2=C3C(=CC=C2)N(C=N3)CC(F)(F)F
InChI
InChI=1S/C15H12F3N3/c1-10-5-6-19-7-12(10)11-3-2-4-13-14(11)20-9-21(13)8-15(16,17)18/h2-7,9H,8H2,1H3
InChIKey
OFFVLUDFSIUVMI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(4-Methylpyridin-3-yl)-1-(2,2,2-trifluoroethyl)benzimidazole
CAS: 1370001-71-0
CID: 56949328
Formula: C15H12F3N3
MW: 291.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight291.27
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass291.09833188
Monoisotopic Mass291.09833188
Topological Polar Surface Area30.7 Ų
Heavy Atom Count21
Formal Charge0
Complexity361
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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