Chemical Components in the PDB

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0MO : Summary

Code

0MO

One-letter code

X

Molecule name

(4R)-4-(3-butoxy-4-methoxybenzyl)imidazolidin-2-one

Synonyms

4-(3-butoxy-4-methoxyphenyl)methyl-2-imidazolidone

Systematic names

ProgramVersionName
ACDLabs 11.02 (4R)-4-(3-butoxy-4-methoxybenzyl)imidazolidin-2-one
OpenEye OEToolkits 1.6.1 (4R)-4-[(3-butoxy-4-methoxy-phenyl)methyl]imidazolidin-2-one

Formula

C15 H22 N2 O3

Formal charge

0

Molecular weight

278.347 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 11.02 O=C1NCC(N1)Cc2cc(OCCCC)c(OC)cc2
SMILES CACTVS 3.352 CCCCOc1cc(C[CH]2CNC(=O)N2)ccc1OC
SMILES OpenEye OEToolkits 1.7.0 CCCCOc1cc(ccc1OC)CC2CNC(=O)N2
Canonical SMILES CACTVS 3.352 CCCCOc1cc(C[C@@H]2CNC(=O)N2)ccc1OC
Canonical SMILES OpenEye OEToolkits 1.7.0 CCCCOc1cc(ccc1OC)C[C@@H]2CNC(=O)N2

IUPAC InChI

InChI=1S/C15H22N2O3/c1-3-4-7-20-14-9-11(5-6-13(14)19-2)8-12-10-16-15(18)17-12/h5-6,9,12H,3-4,7-8,10H2,1-2H3,(H2,16,17,18)/t12-/m1/s1

IUPAC InChI key

PDMUULPVBYQBBK-GFCCVEGCSA-N
0MO

wwPDB Information

Atom count

42 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2009-07-13

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned