Chemical Components in the PDB

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V2L : Summary

Code

V2L

One-letter code

X

Molecule name

1-(1-benzyl-1H-imidazol-2-yl)methanamine

Systematic names

ProgramVersionName
ACDLabs 12.01 1-(1-benzyl-1H-imidazol-2-yl)methanamine
OpenEye OEToolkits 2.0.7 [1-(phenylmethyl)imidazol-2-yl]methanamine

Formula

C11 H13 N3

Formal charge

0

Molecular weight

187.241 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 NCc1nccn1Cc1ccccc1
SMILES CACTVS 3.385 NCc1nccn1Cc2ccccc2
SMILES OpenEye OEToolkits 2.0.7 c1ccc(cc1)Cn2ccnc2CN
Canonical SMILES CACTVS 3.385 NCc1nccn1Cc2ccccc2
Canonical SMILES OpenEye OEToolkits 2.0.7 c1ccc(cc1)Cn2ccnc2CN

IUPAC InChI

InChI=1S/C11H13N3/c12-8-11-13-6-7-14(11)9-10-4-2-1-3-5-10/h1-7H,8-9,12H2

IUPAC InChI key

WAKASDKZDPCQPA-UHFFFAOYSA-N
V2L

wwPDB Information

Atom count

27 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2022-08-29

Last modified at

2022-10-28

Status

Released

Obsoleted

Not Assigned