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R34 : Summary

Code

R34

One-letter code

X

Molecule name

5-{[6-chloro-5-(1-methyl-1H-indol-5-yl)-1H-benzimidazol-2-yl]oxy}-N-hydroxy-2-methylbenzamide

Systematic names

ProgramVersionName
ACDLabs 12.01 5-{[6-chloro-5-(1-methyl-1H-indol-5-yl)-1H-benzimidazol-2-yl]oxy}-N-hydroxy-2-methylbenzamide
OpenEye OEToolkits 2.0.6 5-[[6-chloranyl-5-(1-methylindol-5-yl)-1~{H}-benzimidazol-2-yl]oxy]-2-methyl-~{N}-oxidanyl-benzamide

Formula

C24 H19 Cl N4 O3

Formal charge

0

Molecular weight

446.886 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 c15c(ccc(c1)c2c(Cl)cc3c(c2)nc(n3)Oc4cc(c(cc4)C)C(=O)NO)n(C)cc5
SMILES CACTVS 3.385 Cn1ccc2cc(ccc12)c3cc4nc([nH]c4cc3Cl)Oc5ccc(C)c(c5)C(=O)NO
SMILES OpenEye OEToolkits 2.0.6 Cc1ccc(cc1C(=O)NO)Oc2[nH]c3cc(c(cc3n2)c4ccc5c(c4)ccn5C)Cl
Canonical SMILES CACTVS 3.385 Cn1ccc2cc(ccc12)c3cc4nc([nH]c4cc3Cl)Oc5ccc(C)c(c5)C(=O)NO
Canonical SMILES OpenEye OEToolkits 2.0.6 Cc1ccc(cc1C(=O)NO)Oc2[nH]c3cc(c(cc3n2)c4ccc5c(c4)ccn5C)Cl

IUPAC InChI

InChI=1S/C24H19ClN4O3/c1-13-3-5-16(10-17(13)23(30)28-31)32-24-26-20-11-18(19(25)12-21(20)27-24)14-4-6-22-15(9-14)7-8-29(22)2/h3-12,31H,1-2H3,(H,26,27)(H,28,30)

IUPAC InChI key

SCEVBRBKKQZTKM-UHFFFAOYSA-N
R34

wwPDB Information

Atom count

51 (32 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-01-29

Last modified at

2018-11-23

Status

Released

Obsoleted

Not Assigned