1,3-bis[(2,4-dichlorophenyl)methoxy]-2-ethylimidazol-1-ium

C19H17Cl4N2O2+ — CID 14663934

IUPAC1,3-bis[(2,4-dichlorophenyl)methoxy]-2-ethylimidazol-1-ium
SMILESCCc1n(OCc2ccc(Cl)cc2Cl)cc[n+]1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H17Cl4N2O2/c1-2-19-24(26-11-13-3-5-15(20)9-17(13)22)7-8-25(19)27-12-14-4-6-16(21)10-18(14)23/h3-10H,2,11-12H2,1H3/q+1
InChIKeyGQGOJVDNYJDHQX-UHFFFAOYSA-N
MW447.17 g/mol
LogP5.21
Rot. Bonds7

About 1,3-bis[(2,4-dichlorophenyl)methoxy]-2-ethylimidazol-1-ium

1,3-bis[(2,4-dichlorophenyl)methoxy]-2-ethylimidazol-1-ium (PubChem CID 14663934) has the molecular formula C19H17Cl4N2O2+ and a molecular weight of 447.17 g/mol. Its IUPAC name is 1,3-bis[(2,4-dichlorophenyl)methoxy]-2-ethylimidazol-1-ium.

Molecular Properties

Compound Name1,3-bis[(2,4-dichlorophenyl)methoxy]-2-ethylimidazol-1-ium
PubChem CID14663934
Molecular FormulaC19H17Cl4N2O2+
Molecular Weight447.17 g/mol
Exact Mass445.00
IUPAC Name1,3-bis[(2,4-dichlorophenyl)methoxy]-2-ethylimidazol-1-ium
SMILESCCc1n(OCc2ccc(Cl)cc2Cl)cc[n+]1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H17Cl4N2O2/c1-2-19-24(26-11-13-3-5-15(20)9-17(13)22)7-8-25(19)27-12-14-4-6-16(21)10-18(14)23/h3-10H,2,11-12H2,1H3/q+1
InChIKeyGQGOJVDNYJDHQX-UHFFFAOYSA-N
XLogP5.21
TPSA27.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.17
LogP ≤ 55.21
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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Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(2,4-dichlorophenyl)methoxy]-2-ethylimidazol-1-ium?
The IUPAC name of 1,3-bis[(2,4-dichlorophenyl)methoxy]-2-ethylimidazol-1-ium (CID 14663934) is 1,3-bis[(2,4-dichlorophenyl)methoxy]-2-ethylimidazol-1-ium.
What is the SMILES notation for 1,3-bis[(2,4-dichlorophenyl)methoxy]-2-ethylimidazol-1-ium?
The canonical SMILES for 1,3-bis[(2,4-dichlorophenyl)methoxy]-2-ethylimidazol-1-ium is CCc1n(OCc2ccc(Cl)cc2Cl)cc[n+]1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of 1,3-bis[(2,4-dichlorophenyl)methoxy]-2-ethylimidazol-1-ium?
The InChIKey is GQGOJVDNYJDHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl4N2O2/c1-2-19-24(26-11-13-3-5-15(20)9-17(13)22)7-8-25(19)27-12-14-4-6-16(21)10-18(14)23/h3-10H,2,11-12H2,1H3/q+1.
What are the key properties of 1,3-bis[(2,4-dichlorophenyl)methoxy]-2-ethylimidazol-1-ium?
1,3-bis[(2,4-dichlorophenyl)methoxy]-2-ethylimidazol-1-ium has a molecular weight of 447.17 g/mol, XLogP of 5.21, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(2,4-dichlorophenyl)methoxy]-2-ethylimidazol-1-ium is sourced from PubChem (CID 14663934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).