Chemical Components in the PDB

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SZK : Summary

Code

SZK

One-letter code

X

Molecule name

(1-ethyl-1H-benzoimidazol-2-yl)-furan-2-ylmethyl-aminee

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 1-ethyl-~{N}-(furan-2-ylmethyl)benzimidazol-2-amine

Formula

C14 H15 N3 O

Formal charge

0

Molecular weight

241.288 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CCn1c(NCc2occc2)nc3ccccc13
SMILES OpenEye OEToolkits 2.0.7 CCn1c2ccccc2nc1NCc3ccco3
Canonical SMILES CACTVS 3.385 CCn1c(NCc2occc2)nc3ccccc13
Canonical SMILES OpenEye OEToolkits 2.0.7 CCn1c2ccccc2nc1NCc3ccco3

IUPAC InChI

InChI=1S/C14H15N3O/c1-2-17-13-8-4-3-7-12(13)16-14(17)15-10-11-6-5-9-18-11/h3-9H,2,10H2,1H3,(H,15,16)

IUPAC InChI key

XVKUMXLSEKBYCF-UHFFFAOYSA-N
SZK

wwPDB Information

Atom count

33 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-12-08

Last modified at

2020-12-18

Status

Released

Obsoleted

Not Assigned