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- ChemComp-QCU: 1,3-dimethylbenzimidazol-2-one -

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ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: QCU
NameName: 1,3-dimethylbenzimidazol-2-one

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Chemical information

Composition
Formula: C9H10N2O / Number of atoms: 22 / Formula weight: 162.188 / Formal charge: 0
Others

8bd9

Type: non-polymer / PDB classification: HETAIN / Three letter code: QCU / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8BD9
History
Create componentOct 25, 2022
Initial releaseDec 7, 2022
External linksUniChem / ChemSpider / ChEMBL / ChemicalBook / CompTox / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.385CN1C(=O)N(C)c2ccccc12
OpenEye OEToolkits 3.1.0.0CN1c2ccccc2N(C1=O)C

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SMILES CANONICAL

CACTVS 3.385CN1C(=O)N(C)c2ccccc12
OpenEye OEToolkits 3.1.0.0CN1c2ccccc2N(C1=O)C

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InChI

InChI 1.06InChI=1S/C9H10N2O/c1-10-7-5-3-4-6-8(7)11(2)9(10)12/h3-6H,1-2H3

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InChIKey

InChI 1.06NOJXCBIUEXCLMZ-UHFFFAOYSA-N

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PDB entries

Showing all 3 items

PDB-8bd8:
Crystal structure of TRIM33 alpha PHD-Bromo domain in complex with 8

PDB-8bd9:
Crystal structure of TRIM33 alpha PHD-Bromo domain in complex with 10

PDB-8bdy:
Crystal structure of TRIM33 alpha PHD-Bromo domain in complex with 9

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