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- ChemComp-T6R: 1-ethyl-1H-benzimidazole -

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Basic information

EntryDatabase: PDB chemical components / ID: T6R
NameName: 1-ethyl-1H-benzimidazole

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Chemical information

Composition
Formula: C9H10N2 / Number of atoms: 21 / Formula weight: 146.189 / Formal charge: 0
Others

7gql

Type: non-polymer / PDB classification: HETAIN / Three letter code: T6R / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7GQL
History
Create componentAug 28, 2023
Initial releaseNov 29, 2023
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 12.01CCn1cnc2ccccc21
CACTVS 3.385CCn1cnc2ccccc12
OpenEye OEToolkits 2.0.7CCn1cnc2c1cccc2

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SMILES CANONICAL

CACTVS 3.385CCn1cnc2ccccc12
OpenEye OEToolkits 2.0.7CCn1cnc2c1cccc2

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InChI

InChI 1.06InChI=1S/C9H10N2/c1-2-11-7-10-8-5-3-4-6-9(8)11/h3-7H,2H2,1H3

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InChIKey

InChI 1.06WVNMLOGVAVGQIT-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.011-ethyl-1H-benzimidazole
OpenEye OEToolkits 2.0.71-ethylbenzimidazole

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PDB entries

Showing all 3 items

PDB-7gql:
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z53833304

PDB-7h1x:
PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z53833304

PDB-7hl9:
Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z53833304 (DNV2_NS5A-x1217)

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