Chemical Components in the PDB

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18F : Summary

Code

18F

One-letter code

X

Molecule name

1-benzyl-2-phenyl-1H-benzimidazole

Systematic names

ProgramVersionName
ACDLabs 12.01 1-benzyl-2-phenyl-1H-benzimidazole
OpenEye OEToolkits 1.7.6 2-phenyl-1-(phenylmethyl)benzimidazole

Formula

C20 H16 N2

Formal charge

0

Molecular weight

284.354 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 n2c1ccccc1n(c2c3ccccc3)Cc4ccccc4
SMILES CACTVS 3.370 C(n1c2ccccc2nc1c3ccccc3)c4ccccc4
SMILES OpenEye OEToolkits 1.7.6 c1ccc(cc1)Cn2c3ccccc3nc2c4ccccc4
Canonical SMILES CACTVS 3.370 C(n1c2ccccc2nc1c3ccccc3)c4ccccc4
Canonical SMILES OpenEye OEToolkits 1.7.6 c1ccc(cc1)Cn2c3ccccc3nc2c4ccccc4

IUPAC InChI

InChI=1S/C20H16N2/c1-3-9-16(10-4-1)15-22-19-14-8-7-13-18(19)21-20(22)17-11-5-2-6-12-17/h1-14H,15H2

IUPAC InChI key

LCFXRSKBJWQHON-UHFFFAOYSA-N
18F

wwPDB Information

Atom count

38 (22 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2013-03-26

Last modified at

2013-05-17

Status

Released

Obsoleted

Not Assigned