4-(6-methoxynaphthalen-2-yl)-3-methyl-1-oxidoimidazol-1-ium

C15H14N2O2 — CID 134861684

IUPAC4-(6-methoxynaphthalen-2-yl)-3-methyl-1-oxidoimidazol-1-ium
SMILESCOc1ccc2cc(-c3c[n+]([O-])cn3C)ccc2c1
InChIInChI=1S/C15H14N2O2/c1-16-10-17(18)9-15(16)13-4-3-12-8-14(19-2)6-5-11(12)7-13/h3-10H,1-2H3
InChIKeyCTSUIWDPHCTHCF-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.49
Rot. Bonds2

About 4-(6-methoxynaphthalen-2-yl)-3-methyl-1-oxidoimidazol-1-ium

4-(6-methoxynaphthalen-2-yl)-3-methyl-1-oxidoimidazol-1-ium (PubChem CID 134861684) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-(6-methoxynaphthalen-2-yl)-3-methyl-1-oxidoimidazol-1-ium.

Molecular Properties

Compound Name4-(6-methoxynaphthalen-2-yl)-3-methyl-1-oxidoimidazol-1-ium
PubChem CID134861684
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name4-(6-methoxynaphthalen-2-yl)-3-methyl-1-oxidoimidazol-1-ium
SMILESCOc1ccc2cc(-c3c[n+]([O-])cn3C)ccc2c1
InChIInChI=1S/C15H14N2O2/c1-16-10-17(18)9-15(16)13-4-3-12-8-14(19-2)6-5-11(12)7-13/h3-10H,1-2H3
InChIKeyCTSUIWDPHCTHCF-UHFFFAOYSA-N
XLogP2.49
TPSA41.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxynaphthalen-2-yl)-3-methyl-1-oxidoimidazol-1-ium?
The IUPAC name of 4-(6-methoxynaphthalen-2-yl)-3-methyl-1-oxidoimidazol-1-ium (CID 134861684) is 4-(6-methoxynaphthalen-2-yl)-3-methyl-1-oxidoimidazol-1-ium.
What is the SMILES notation for 4-(6-methoxynaphthalen-2-yl)-3-methyl-1-oxidoimidazol-1-ium?
The canonical SMILES for 4-(6-methoxynaphthalen-2-yl)-3-methyl-1-oxidoimidazol-1-ium is COc1ccc2cc(-c3c[n+]([O-])cn3C)ccc2c1.
What is the InChIKey of 4-(6-methoxynaphthalen-2-yl)-3-methyl-1-oxidoimidazol-1-ium?
The InChIKey is CTSUIWDPHCTHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-16-10-17(18)9-15(16)13-4-3-12-8-14(19-2)6-5-11(12)7-13/h3-10H,1-2H3.
What are the key properties of 4-(6-methoxynaphthalen-2-yl)-3-methyl-1-oxidoimidazol-1-ium?
4-(6-methoxynaphthalen-2-yl)-3-methyl-1-oxidoimidazol-1-ium has a molecular weight of 254.29 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxynaphthalen-2-yl)-3-methyl-1-oxidoimidazol-1-ium is sourced from PubChem (CID 134861684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).