1-(3-naphthalen-1-yloxypropyl)-2-[(E)-2-phenylethenyl]benzimidazole

C28H24N2O — CID 18879223

IUPAC1-(3-naphthalen-1-yloxypropyl)-2-[(E)-2-phenylethenyl]benzimidazole
SMILESC(=C/c1nc2ccccc2n1CCCOc1cccc2ccccc12)\c1ccccc1
InChIInChI=1S/C28H24N2O/c1-2-10-22(11-3-1)18-19-28-29-25-15-6-7-16-26(25)30(28)20-9-21-31-27-17-8-13-23-12-4-5-14-24(23)27/h1-8,10-19H,9,20-21H2/b19-18+
InChIKeyVGRBDPVTCZQHLX-VHEBQXMUSA-N
MW404.51 g/mol
LogP6.83
Rot. Bonds7

About 1-(3-naphthalen-1-yloxypropyl)-2-[(E)-2-phenylethenyl]benzimidazole

1-(3-naphthalen-1-yloxypropyl)-2-[(E)-2-phenylethenyl]benzimidazole (PubChem CID 18879223) has the molecular formula C28H24N2O and a molecular weight of 404.51 g/mol. Its IUPAC name is 1-(3-naphthalen-1-yloxypropyl)-2-[(E)-2-phenylethenyl]benzimidazole.

Molecular Properties

Compound Name1-(3-naphthalen-1-yloxypropyl)-2-[(E)-2-phenylethenyl]benzimidazole
PubChem CID18879223
Molecular FormulaC28H24N2O
Molecular Weight404.51 g/mol
Exact Mass404.19
IUPAC Name1-(3-naphthalen-1-yloxypropyl)-2-[(E)-2-phenylethenyl]benzimidazole
SMILESC(=C/c1nc2ccccc2n1CCCOc1cccc2ccccc12)\c1ccccc1
InChIInChI=1S/C28H24N2O/c1-2-10-22(11-3-1)18-19-28-29-25-15-6-7-16-26(25)30(28)20-9-21-31-27-17-8-13-23-12-4-5-14-24(23)27/h1-8,10-19H,9,20-21H2/b19-18+
InChIKeyVGRBDPVTCZQHLX-VHEBQXMUSA-N
XLogP6.83
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.51
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-naphthalen-2-yloxypropyl)-2-[(E)-2-phenylethenyl]benzimidazole
CID 18879224
1-[4-(2,6-dimethylphenoxy)butyl]-2-[(E)-2-phenylethenyl]benzimidazole
CID 16999604
2-[(E)-2-(furan-2-yl)ethenyl]-1-(2-naphthalen-1-yloxyethyl)benzimidazole
CID 16999922
1-butyl-2-(2-phenylethenyl)benzimidazole
CID 2896888
2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(3-phenoxypropyl)benzimidazole
CID 16999687
1-[4-(4-methoxyphenoxy)butyl]-2-[(E)-2-phenylethenyl]benzimidazole
CID 16999616
1-pentyl-2-(2-phenylethenyl)benzimidazole
CID 3761593
1-[4-(4-chlorophenoxy)butyl]-2-[(E)-2-phenylethenyl]benzimidazole
CID 18879216
1-octadecyl-2-(2-phenylethenyl)benzimidazole
CID 4153645
1-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethanol
CID 3160724
2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]propan-2-ol
CID 19242286
2-(naphthalen-1-yloxymethyl)-1-(3-phenoxypropyl)benzimidazole
CID 3472678

Frequently Asked Questions

What is the IUPAC name of 1-(3-naphthalen-1-yloxypropyl)-2-[(E)-2-phenylethenyl]benzimidazole?
The IUPAC name of 1-(3-naphthalen-1-yloxypropyl)-2-[(E)-2-phenylethenyl]benzimidazole (CID 18879223) is 1-(3-naphthalen-1-yloxypropyl)-2-[(E)-2-phenylethenyl]benzimidazole.
What is the SMILES notation for 1-(3-naphthalen-1-yloxypropyl)-2-[(E)-2-phenylethenyl]benzimidazole?
The canonical SMILES for 1-(3-naphthalen-1-yloxypropyl)-2-[(E)-2-phenylethenyl]benzimidazole is C(=C/c1nc2ccccc2n1CCCOc1cccc2ccccc12)\c1ccccc1.
What is the InChIKey of 1-(3-naphthalen-1-yloxypropyl)-2-[(E)-2-phenylethenyl]benzimidazole?
The InChIKey is VGRBDPVTCZQHLX-VHEBQXMUSA-N. The full InChI is InChI=1S/C28H24N2O/c1-2-10-22(11-3-1)18-19-28-29-25-15-6-7-16-26(25)30(28)20-9-21-31-27-17-8-13-23-12-4-5-14-24(23)27/h1-8,10-19H,9,20-21H2/b19-18+.
What are the key properties of 1-(3-naphthalen-1-yloxypropyl)-2-[(E)-2-phenylethenyl]benzimidazole?
1-(3-naphthalen-1-yloxypropyl)-2-[(E)-2-phenylethenyl]benzimidazole has a molecular weight of 404.51 g/mol, XLogP of 6.83, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-naphthalen-1-yloxypropyl)-2-[(E)-2-phenylethenyl]benzimidazole is sourced from PubChem (CID 18879223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).