Chemical Components in the PDB

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UVJ : Summary

Code

UVJ

One-letter code

X

Molecule name

3-(2-methyl-1H-benzimidazol-1-yl)propanamide

Systematic names

ProgramVersionName
ACDLabs 12.01 3-(2-methyl-1H-benzimidazol-1-yl)propanamide
OpenEye OEToolkits 2.0.7 3-(2-methylbenzimidazol-1-yl)propanamide

Formula

C11 H13 N3 O

Formal charge

0

Molecular weight

203.24 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 n2(c1ccccc1nc2C)CCC(N)=O
SMILES CACTVS 3.385 Cc1nc2ccccc2n1CCC(N)=O
SMILES OpenEye OEToolkits 2.0.7 Cc1nc2ccccc2n1CCC(=O)N
Canonical SMILES CACTVS 3.385 Cc1nc2ccccc2n1CCC(N)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 Cc1nc2ccccc2n1CCC(=O)N

IUPAC InChI

InChI=1S/C11H13N3O/c1-8-13-9-4-2-3-5-10(9)14(8)7-6-11(12)15/h2-5H,6-7H2,1H3,(H2,12,15)

IUPAC InChI key

HZTUIHZIQKFSIL-UHFFFAOYSA-N
UVJ

wwPDB Information

Atom count

28 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-06-02

Last modified at

2020-06-12

Status

Released

Obsoleted

Not Assigned