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CAT: 0926-BT162801-03Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-BT162801-03Size:25 mg

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CAS Number

1784751-18-3

Synonyms

4- (2- (2,6-Difluorophenyl) -4- (fluorophenyl) -1H-imidazol-5-yl) pyridine

Smiles

C1=CC (=C (C (=C1) F) C2=NC (=C (N2) C3=CC=NC=C3) C4=CC=C (C=C4) F) F

Molecular Formula

C20H12F3N3

Molecular Weight

351.32 g/mol

Controlled

Chemical Information

4-[2-(2,6-difluorophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine

CAS Number	1784751-18-3
PubChem CID	91691129
IUPAC Name	4-[2-(2,6-difluorophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine
Molecular Formula	C20H12F3N3
Molecular Weight	351.3
XLogP	4.3
Topological Polar Surface Area	41.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	26
Formal Charge	0
Complexity	442

SMILES

C1=CC(=C(C(=C1)F)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC=C(C=C4)F)F

InChI

InChI=1S/C20H12F3N3/c21-14-6-4-12(5-7-14)18-19(13-8-10-24-11-9-13)26-20(25-18)17-15(22)2-1-3-16(17)23/h1-11H,(H,25,26)

InChIKey

TWPJJJZCYVFUOA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1784751-18-3

CID: 91691129

Formula: C20H12F3N3

MW: 351.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	351.3
XLogP3	4.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	351.09833188
Monoisotopic Mass	351.09833188
Topological Polar Surface Area	41.6 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	442
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes