Chemical Components in the PDB

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OGY : Summary

Code

OGY

One-letter code

X

Molecule name

[2-(3-phenylpropyl)-1H-imidazol-4-yl]methanol

Systematic names

ProgramVersionName
ACDLabs 12.01 [2-(3-phenylpropyl)-1H-imidazol-4-yl]methanol
OpenEye OEToolkits 2.0.7 [2-(3-phenylpropyl)-1~{H}-imidazol-4-yl]methanol

Formula

C13 H16 N2 O

Formal charge

0

Molecular weight

216.279 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 c1(ccccc1)CCCc2ncc(CO)n2
SMILES CACTVS 3.385 OCc1c[nH]c(CCCc2ccccc2)n1
SMILES OpenEye OEToolkits 2.0.7 c1ccc(cc1)CCCc2[nH]cc(n2)CO
Canonical SMILES CACTVS 3.385 OCc1c[nH]c(CCCc2ccccc2)n1
Canonical SMILES OpenEye OEToolkits 2.0.7 c1ccc(cc1)CCCc2[nH]cc(n2)CO

IUPAC InChI

InChI=1S/C13H16N2O/c16-10-12-9-14-13(15-12)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9,16H,4,7-8,10H2,(H,14,15)

IUPAC InChI key

YJBVUMXRLPWRCM-UHFFFAOYSA-N
OGY

wwPDB Information

Atom count

32 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-06-24

Last modified at

2019-12-06

Status

Released

Obsoleted

Not Assigned