Chemical Components in the PDB

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L0D : Summary

Code

L0D

One-letter code

X

Molecule name

2-(1H-pyrazol-3-yl)-1H-benzimidazole

Systematic names

ProgramVersionName
ACDLabs 10.04 2-(1H-pyrazol-3-yl)-1H-benzimidazole
OpenEye OEToolkits 1.5.0 2-(1H-pyrazol-3-yl)-1H-benzimidazole

Formula

C10 H8 N4

Formal charge

0

Molecular weight

184.197 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 n2c1c(cccc1)nc2c3nncc3
SMILES CACTVS 3.341 [nH]1ccc(n1)c2[nH]c3ccccc3n2
SMILES OpenEye OEToolkits 1.5.0 c1ccc2c(c1)[nH]c(n2)c3cc[nH]n3
Canonical SMILES CACTVS 3.341 [nH]1ccc(n1)c2[nH]c3ccccc3n2
Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc2c(c1)[nH]c(n2)c3cc[nH]n3

IUPAC InChI

InChI=1S/C10H8N4/c1-2-4-8-7(3-1)12-10(13-8)9-5-6-11-14-9/h1-6H,(H,11,14)(H,12,13)

IUPAC InChI key

IYTGPPNUOLLGBE-UHFFFAOYSA-N
L0D

wwPDB Information

Atom count

22 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2008-10-17

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned