1-(ethoxymethyl)-3-(phenylmethoxymethyl)imidazol-3-ium

C14H19N2O2+ — CID 125115411

IUPAC1-(ethoxymethyl)-3-(phenylmethoxymethyl)imidazol-3-ium
SMILESCCOCn1cc[n+](COCc2ccccc2)c1
InChIInChI=1S/C14H19N2O2/c1-2-17-12-15-8-9-16(11-15)13-18-10-14-6-4-3-5-7-14/h3-9,11H,2,10,12-13H2,1H3/q+1
InChIKeyPFOSTLOSILPNSC-UHFFFAOYSA-N
MW247.32 g/mol
LogP1.94
Rot. Bonds7

About 1-(ethoxymethyl)-3-(phenylmethoxymethyl)imidazol-3-ium

1-(ethoxymethyl)-3-(phenylmethoxymethyl)imidazol-3-ium (PubChem CID 125115411) has the molecular formula C14H19N2O2+ and a molecular weight of 247.32 g/mol. Its IUPAC name is 1-(ethoxymethyl)-3-(phenylmethoxymethyl)imidazol-3-ium.

Molecular Properties

Compound Name1-(ethoxymethyl)-3-(phenylmethoxymethyl)imidazol-3-ium
PubChem CID125115411
Molecular FormulaC14H19N2O2+
Molecular Weight247.32 g/mol
Exact Mass247.14
IUPAC Name1-(ethoxymethyl)-3-(phenylmethoxymethyl)imidazol-3-ium
SMILESCCOCn1cc[n+](COCc2ccccc2)c1
InChIInChI=1S/C14H19N2O2/c1-2-17-12-15-8-9-16(11-15)13-18-10-14-6-4-3-5-7-14/h3-9,11H,2,10,12-13H2,1H3/q+1
InChIKeyPFOSTLOSILPNSC-UHFFFAOYSA-N
XLogP1.94
TPSA27.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1,3-bis(ethoxymethyl)imidazol-1-ium
CID 87745268
1-[(4-chlorophenyl)methyl]-3-(ethoxymethyl)imidazol-1-ium
CID 125115304
1-benzyl-3-(methoxymethyl)imidazol-1-ium
CID 125115319
(213C)ethoxymethylbenzene
CID 87947851
1-benzyl-3-(3-methylbutoxymethyl)imidazol-1-ium
CID 125115477
1-benzyl-3-propylimidazol-1-ium
CID 87808190
1-(butoxymethyl)-3-(decoxymethyl)imidazol-3-ium
CID 101112370
1-ethyl-4-(phenylmethoxymethyl)benzene
CID 123410479
ethoxymethylbenzene;propylbenzene
CID 174975433
1-[1-(phenylmethoxymethyl)pyrrol-3-yl]propan-1-one
CID 102940057
1,3-bis(butoxymethyl)imidazol-1-ium hexafluorophosphate
CID 11463303
ethane;phenylmethoxymethylbenzene
CID 90943549

Frequently Asked Questions

What is the IUPAC name of 1-(ethoxymethyl)-3-(phenylmethoxymethyl)imidazol-3-ium?
The IUPAC name of 1-(ethoxymethyl)-3-(phenylmethoxymethyl)imidazol-3-ium (CID 125115411) is 1-(ethoxymethyl)-3-(phenylmethoxymethyl)imidazol-3-ium.
What is the SMILES notation for 1-(ethoxymethyl)-3-(phenylmethoxymethyl)imidazol-3-ium?
The canonical SMILES for 1-(ethoxymethyl)-3-(phenylmethoxymethyl)imidazol-3-ium is CCOCn1cc[n+](COCc2ccccc2)c1.
What is the InChIKey of 1-(ethoxymethyl)-3-(phenylmethoxymethyl)imidazol-3-ium?
The InChIKey is PFOSTLOSILPNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N2O2/c1-2-17-12-15-8-9-16(11-15)13-18-10-14-6-4-3-5-7-14/h3-9,11H,2,10,12-13H2,1H3/q+1.
What are the key properties of 1-(ethoxymethyl)-3-(phenylmethoxymethyl)imidazol-3-ium?
1-(ethoxymethyl)-3-(phenylmethoxymethyl)imidazol-3-ium has a molecular weight of 247.32 g/mol, XLogP of 1.94, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxymethyl)-3-(phenylmethoxymethyl)imidazol-3-ium is sourced from PubChem (CID 125115411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).