Chemical Components in the PDB

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XCG : Summary

Code

XCG

One-letter code

X

Molecule name

2-(2-BENZOFURANYL)-2-IMIDAZOLINE

Systematic names

ProgramVersionName
ACDLabs 10.04 2-(1-benzofuran-2-yl)-1H-imidazole
OpenEye OEToolkits 1.6.1 2-(1-benzofuran-2-yl)-1H-imidazole

Formula

C11 H8 N2 O

Formal charge

0

Molecular weight

184.194 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 n1ccnc1c3oc2ccccc2c3
SMILES CACTVS 3.352 [nH]1ccnc1c2oc3ccccc3c2
SMILES OpenEye OEToolkits 1.6.1 c1ccc2c(c1)cc(o2)c3[nH]ccn3
Canonical SMILES CACTVS 3.352 [nH]1ccnc1c2oc3ccccc3c2
Canonical SMILES OpenEye OEToolkits 1.6.1 c1ccc2c(c1)cc(o2)c3[nH]ccn3

IUPAC InChI

InChI=1S/C11H8N2O/c1-2-4-9-8(3-1)7-10(14-9)11-12-5-6-13-11/h1-7H,(H,12,13)

IUPAC InChI key

VBFQIUOSXHUWCT-UHFFFAOYSA-N
XCG

wwPDB Information

Atom count

22 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2010-04-23

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned