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- ChemComp-1BN: 1-BENZYL-1H-IMIDAZOLE -

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Basic information

EntryDatabase: PDB chemical components / ID: 1BN
NameName: 1-benzyl-1H-imidazole / Synonyms: 1-BENZYLIMIDAZOLE

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Chemical information

Composition
Formula: C10H10N2 / Number of atoms: 22 / Formula weight: 158.2 / Formal charge: 0
Others

2afx

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 1BN / Model coordinates PDB-ID: 2AFX
History
Create componentAug 1, 2005
Modify descriptorJun 4, 2011
Modify synonymsMar 1, 2021
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 10.04n1ccn(c1)Cc2ccccc2
CACTVS 3.341C(n1ccnc1)c2ccccc2
OpenEye OEToolkits 1.5.0c1ccc(cc1)Cn2ccnc2

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SMILES CANONICAL

CACTVS 3.341C(n1ccnc1)c2ccccc2
OpenEye OEToolkits 1.5.0c1ccc(cc1)Cn2ccnc2

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InChI

InChI 1.03InChI=1S/C10H10N2/c1-2-4-10(5-3-1)8-12-7-6-11-9-12/h1-7,9H,8H2

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InChIKey

InChI 1.03KKKDZZRICRFGSD-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.041-benzyl-1H-imidazole
OpenEye OEToolkits 1.5.01-(phenylmethyl)imidazole

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PDB entries

Showing all 4 items

PDB-2afx:
Crystal structure of human glutaminyl cyclase in complex with 1-benzylimidazole

PDB-3pb9:
Crystal structure of the catalytic domain of human Golgi-resident glutaminyl cyclase in complex with 1-benzylimidazole

PDB-5s8m:
XChem group deposition -- Crystal Structure of the second bromodomain of pleckstrin homology domain interacting protein (PHIP) in complex with N11511a (space group C2)

PDB-7d1d:
Crystal structure of Bacteroides thetaiotaomicron glutaminyl cyclase bound to 1-benzylimidazole

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