JNJ 55511118

CAT: 0926-LGD08186-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-LGD08186-01Size:25 mg

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CAS Number

2036081-86-2

MDL Number

MFCD30480932

Smiles

C1=CC (=C (C (=C1) Cl) C2=CC3=C (C=C2) NC (=O) N3) OC (F) (F) F

Molecular Formula

C14H8ClF3N2O2

Molecular Weight

328.67 g/mol

Controlled

Chemical Information

5-(2-Chloro-6-(trifluoromethoxy)phenyl)-1,3-dihydrobenzimidazol-2-one

a TARP-gamma8 inhibitor; structure in first source

CAS Number	2036081-86-2
PubChem CID	122656423
IUPAC Name	5-[2-chloro-6-(trifluoromethoxy)phenyl]-1,3-dihydrobenzimidazol-2-one
Molecular Formula	C14H8ClF3N2O2
Molecular Weight	328.67
XLogP	4
Topological Polar Surface Area	50.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	22
Formal Charge	0
Complexity	435

SMILES

C1=CC(=C(C(=C1)Cl)C2=CC3=C(C=C2)NC(=O)N3)OC(F)(F)F

InChI

InChI=1S/C14H8ClF3N2O2/c15-8-2-1-3-11(22-14(16,17)18)12(8)7-4-5-9-10(6-7)20-13(21)19-9/h1-6H,(H2,19,20,21)

InChIKey

COBXSLRIXGQVGS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2036081-86-2

CID: 122656423

Formula: C14H8ClF3N2O2

MW: 328.67

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	328.67
XLogP3	4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	328.0226397
Monoisotopic Mass	328.0226397
Topological Polar Surface Area	50.4 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	435
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