1-(4-naphthalen-1-yloxybutyl)-2-(2-phenylethyl)benzimidazole

C29H28N2O — CID 18879265

IUPAC1-(4-naphthalen-1-yloxybutyl)-2-(2-phenylethyl)benzimidazole
SMILESc1ccc(CCc2nc3ccccc3n2CCCCOc2cccc3ccccc23)cc1
InChIInChI=1S/C29H28N2O/c1-2-11-23(12-3-1)19-20-29-30-26-16-6-7-17-27(26)31(29)21-8-9-22-32-28-18-10-14-24-13-4-5-15-25(24)28/h1-7,10-18H,8-9,19-22H2
InChIKeyUWGYJCHPNXACJG-UHFFFAOYSA-N
MW420.56 g/mol
LogP6.83
Rot. Bonds9

About 1-(4-naphthalen-1-yloxybutyl)-2-(2-phenylethyl)benzimidazole

1-(4-naphthalen-1-yloxybutyl)-2-(2-phenylethyl)benzimidazole (PubChem CID 18879265) has the molecular formula C29H28N2O and a molecular weight of 420.56 g/mol. Its IUPAC name is 1-(4-naphthalen-1-yloxybutyl)-2-(2-phenylethyl)benzimidazole.

Molecular Properties

Compound Name1-(4-naphthalen-1-yloxybutyl)-2-(2-phenylethyl)benzimidazole
PubChem CID18879265
Molecular FormulaC29H28N2O
Molecular Weight420.56 g/mol
Exact Mass420.22
IUPAC Name1-(4-naphthalen-1-yloxybutyl)-2-(2-phenylethyl)benzimidazole
SMILESc1ccc(CCc2nc3ccccc3n2CCCCOc2cccc3ccccc23)cc1
InChIInChI=1S/C29H28N2O/c1-2-11-23(12-3-1)19-20-29-30-26-16-6-7-17-27(26)31(29)21-8-9-22-32-28-18-10-14-24-13-4-5-15-25(24)28/h1-7,10-18H,8-9,19-22H2
InChIKeyUWGYJCHPNXACJG-UHFFFAOYSA-N
XLogP6.83
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.56
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

N-[3-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]propyl]-3-phenylpropanamide
CID 16986093
2-(naphthalen-1-yloxymethyl)-1-(4-phenoxybutyl)benzimidazole
CID 16999401
2-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethanol
CID 19242359
2-(naphthalen-1-yloxymethyl)-1-(3-phenoxypropyl)benzimidazole
CID 3472678
1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]-2-(2-phenylethyl)benzimidazole
CID 18879267
2-(2-phenylethyl)-1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazole
CID 16999473
1-dodecyl-2-(naphthalen-1-yloxymethyl)benzimidazole
CID 16999339
N-[2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16980301
2-methyl-N-[2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16980463
1-[4-(2,5-dimethylphenoxy)butyl]-2-(naphthalen-1-yloxymethyl)benzimidazole
CID 16999405
N-[2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
CID 16975236
1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]-2-(2-phenylethyl)benzimidazole
CID 16999516

Frequently Asked Questions

What is the IUPAC name of 1-(4-naphthalen-1-yloxybutyl)-2-(2-phenylethyl)benzimidazole?
The IUPAC name of 1-(4-naphthalen-1-yloxybutyl)-2-(2-phenylethyl)benzimidazole (CID 18879265) is 1-(4-naphthalen-1-yloxybutyl)-2-(2-phenylethyl)benzimidazole.
What is the SMILES notation for 1-(4-naphthalen-1-yloxybutyl)-2-(2-phenylethyl)benzimidazole?
The canonical SMILES for 1-(4-naphthalen-1-yloxybutyl)-2-(2-phenylethyl)benzimidazole is c1ccc(CCc2nc3ccccc3n2CCCCOc2cccc3ccccc23)cc1.
What is the InChIKey of 1-(4-naphthalen-1-yloxybutyl)-2-(2-phenylethyl)benzimidazole?
The InChIKey is UWGYJCHPNXACJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O/c1-2-11-23(12-3-1)19-20-29-30-26-16-6-7-17-27(26)31(29)21-8-9-22-32-28-18-10-14-24-13-4-5-15-25(24)28/h1-7,10-18H,8-9,19-22H2.
What are the key properties of 1-(4-naphthalen-1-yloxybutyl)-2-(2-phenylethyl)benzimidazole?
1-(4-naphthalen-1-yloxybutyl)-2-(2-phenylethyl)benzimidazole has a molecular weight of 420.56 g/mol, XLogP of 6.83, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-naphthalen-1-yloxybutyl)-2-(2-phenylethyl)benzimidazole is sourced from PubChem (CID 18879265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).