6-(1-methoxyethenyl)-1-methyl-2-naphthalen-1-ylbenzimidazole

C21H18N2O — CID 155598973

IUPAC6-(1-methoxyethenyl)-1-methyl-2-naphthalen-1-ylbenzimidazole
SMILESC=C(OC)c1ccc2nc(-c3cccc4ccccc34)n(C)c2c1
InChIInChI=1S/C21H18N2O/c1-14(24-3)16-11-12-19-20(13-16)23(2)21(22-19)18-10-6-8-15-7-4-5-9-17(15)18/h4-13H,1H2,2-3H3
InChIKeyXYNGUOYZRGXZNI-UHFFFAOYSA-N
MW314.39 g/mol
LogP5.01
Rot. Bonds3

About 6-(1-methoxyethenyl)-1-methyl-2-naphthalen-1-ylbenzimidazole

6-(1-methoxyethenyl)-1-methyl-2-naphthalen-1-ylbenzimidazole (PubChem CID 155598973) has the molecular formula C21H18N2O and a molecular weight of 314.39 g/mol. Its IUPAC name is 6-(1-methoxyethenyl)-1-methyl-2-naphthalen-1-ylbenzimidazole.

Molecular Properties

Compound Name6-(1-methoxyethenyl)-1-methyl-2-naphthalen-1-ylbenzimidazole
PubChem CID155598973
Molecular FormulaC21H18N2O
Molecular Weight314.39 g/mol
Exact Mass314.14
IUPAC Name6-(1-methoxyethenyl)-1-methyl-2-naphthalen-1-ylbenzimidazole
SMILESC=C(OC)c1ccc2nc(-c3cccc4ccccc34)n(C)c2c1
InChIInChI=1S/C21H18N2O/c1-14(24-3)16-11-12-19-20(13-16)23(2)21(22-19)18-10-6-8-15-7-4-5-9-17(15)18/h4-13H,1H2,2-3H3
InChIKeyXYNGUOYZRGXZNI-UHFFFAOYSA-N
XLogP5.01
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.39
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methoxyethenyl)-1-methyl-2-naphthalen-1-ylbenzimidazole?
The IUPAC name of 6-(1-methoxyethenyl)-1-methyl-2-naphthalen-1-ylbenzimidazole (CID 155598973) is 6-(1-methoxyethenyl)-1-methyl-2-naphthalen-1-ylbenzimidazole.
What is the SMILES notation for 6-(1-methoxyethenyl)-1-methyl-2-naphthalen-1-ylbenzimidazole?
The canonical SMILES for 6-(1-methoxyethenyl)-1-methyl-2-naphthalen-1-ylbenzimidazole is C=C(OC)c1ccc2nc(-c3cccc4ccccc34)n(C)c2c1.
What is the InChIKey of 6-(1-methoxyethenyl)-1-methyl-2-naphthalen-1-ylbenzimidazole?
The InChIKey is XYNGUOYZRGXZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O/c1-14(24-3)16-11-12-19-20(13-16)23(2)21(22-19)18-10-6-8-15-7-4-5-9-17(15)18/h4-13H,1H2,2-3H3.
What are the key properties of 6-(1-methoxyethenyl)-1-methyl-2-naphthalen-1-ylbenzimidazole?
6-(1-methoxyethenyl)-1-methyl-2-naphthalen-1-ylbenzimidazole has a molecular weight of 314.39 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methoxyethenyl)-1-methyl-2-naphthalen-1-ylbenzimidazole is sourced from PubChem (CID 155598973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).