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- ChemComp-A7M: {1-[(2,5-dimethylphenyl)methyl]-1H-benzimidazol-2-yl}methanol -

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Basic information

EntryDatabase: PDB chemical components / ID: A7M
NameName: {1-[(2,5-dimethylphenyl)methyl]-1H-benzimidazol-2-yl}methanol

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Chemical information

Composition
Formula: C17H18N2O / Number of atoms: 38 / Formula weight: 266.338 / Formal charge: 0
Others

5wd0
PDB Unreleased entry

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: A7M / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5WD0
History
Create componentJul 8, 2017
Initial releaseDec 25, 2019
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 12.01c3(Cn1c(CO)nc2ccccc12)cc(C)ccc3C
CACTVS 3.385Cc1ccc(C)c(Cn2c(CO)nc3ccccc23)c1
OpenEye OEToolkits 2.0.6Cc1ccc(c(c1)Cn2c3ccccc3nc2CO)C

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SMILES CANONICAL

CACTVS 3.385Cc1ccc(C)c(Cn2c(CO)nc3ccccc23)c1
OpenEye OEToolkits 2.0.6Cc1ccc(c(c1)Cn2c3ccccc3nc2CO)C

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InChI

InChI 1.03InChI=1S/C17H18N2O/c1-12-7-8-13(2)14(9-12)10-19-16-6-4-3-5-15(16)18-17(19)11-20/h3-9,20H,10-11H2,1-2H3

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InChIKey

InChI 1.03RZRPPZWEPMDGEI-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01{1-[(2,5-dimethylphenyl)methyl]-1H-benzimidazol-2-yl}methanol
OpenEye OEToolkits 2.0.6[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]methanol

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Asymmetric hTNF-alpha

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