Chemical Components in the PDB

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PB2 : Summary

Code

PB2

One-letter code

X

Molecule name

1-(biphenyl-4-ylmethyl)-1H-imidazole

Systematic names

ProgramVersionName
ACDLabs 10.04 1-(biphenyl-4-ylmethyl)-1H-imidazole
OpenEye OEToolkits 1.5.0 1-[(4-phenylphenyl)methyl]imidazole

Formula

C16 H14 N2

Formal charge

0

Molecular weight

234.296 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 n1ccn(c1)Cc3ccc(c2ccccc2)cc3
SMILES CACTVS 3.341 C(n1ccnc1)c2ccc(cc2)c3ccccc3
SMILES OpenEye OEToolkits 1.5.0 c1ccc(cc1)c2ccc(cc2)Cn3ccnc3
Canonical SMILES CACTVS 3.341 C(n1ccnc1)c2ccc(cc2)c3ccccc3
Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc(cc1)c2ccc(cc2)Cn3ccnc3

IUPAC InChI

InChI=1S/C16H14N2/c1-2-4-15(5-3-1)16-8-6-14(7-9-16)12-18-11-10-17-13-18/h1-11,13H,12H2

IUPAC InChI key

DLYMRVCQTVOYEW-UHFFFAOYSA-N
PB2

wwPDB Information

Atom count

32 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2009-02-19

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned