2-[(4-tert-butylphenoxy)methyl]-1-(3-naphthalen-2-yloxypropyl)benzimidazole

C31H32N2O2 — CID 18879409

IUPAC2-[(4-tert-butylphenoxy)methyl]-1-(3-naphthalen-2-yloxypropyl)benzimidazole
SMILESCC(C)(C)c1ccc(OCc2nc3ccccc3n2CCCOc2ccc3ccccc3c2)cc1
InChIInChI=1S/C31H32N2O2/c1-31(2,3)25-14-17-26(18-15-25)35-22-30-32-28-11-6-7-12-29(28)33(30)19-8-20-34-27-16-13-23-9-4-5-10-24(23)21-27/h4-7,9-18,21H,8,19-20,22H2,1-3H3
InChIKeyRIWTVJJHASIYPP-UHFFFAOYSA-N
MW464.61 g/mol
LogP7.54
Rot. Bonds8

About 2-[(4-tert-butylphenoxy)methyl]-1-(3-naphthalen-2-yloxypropyl)benzimidazole

2-[(4-tert-butylphenoxy)methyl]-1-(3-naphthalen-2-yloxypropyl)benzimidazole (PubChem CID 18879409) has the molecular formula C31H32N2O2 and a molecular weight of 464.61 g/mol. Its IUPAC name is 2-[(4-tert-butylphenoxy)methyl]-1-(3-naphthalen-2-yloxypropyl)benzimidazole.

Molecular Properties

Compound Name2-[(4-tert-butylphenoxy)methyl]-1-(3-naphthalen-2-yloxypropyl)benzimidazole
PubChem CID18879409
Molecular FormulaC31H32N2O2
Molecular Weight464.61 g/mol
Exact Mass464.25
IUPAC Name2-[(4-tert-butylphenoxy)methyl]-1-(3-naphthalen-2-yloxypropyl)benzimidazole
SMILESCC(C)(C)c1ccc(OCc2nc3ccccc3n2CCCOc2ccc3ccccc3c2)cc1
InChIInChI=1S/C31H32N2O2/c1-31(2,3)25-14-17-26(18-15-25)35-22-30-32-28-11-6-7-12-29(28)33(30)19-8-20-34-27-16-13-23-9-4-5-10-24(23)21-27/h4-7,9-18,21H,8,19-20,22H2,1-3H3
InChIKeyRIWTVJJHASIYPP-UHFFFAOYSA-N
XLogP7.54
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.61
LogP ≤ 57.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-tert-butylphenoxy)methyl]-1-[3-(4-methylphenoxy)propyl]benzimidazole
CID 3848445
1-(4-naphthalen-2-yloxybutyl)-2-(phenoxymethyl)benzimidazole
CID 18879280
2-[(4-tert-butylphenoxy)methyl]-1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazole
CID 16998746
2-(naphthalen-2-yloxymethyl)-1-undecylbenzimidazole
CID 4238705
1-hexyl-2-(naphthalen-2-yloxymethyl)benzimidazole
CID 4631814
2-[(4-tert-butylphenoxy)methyl]-1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazole
CID 16998750
1-[3-(4-tert-butylphenoxy)propyl]-2-[(2,4-dichlorophenoxy)methyl]benzimidazole
CID 16997229
2-[(4-chlorophenoxy)methyl]-1-(2-naphthalen-2-yloxyethyl)benzimidazole
CID 18879299
2-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethanol
CID 19242403
1-[4-(4-tert-butylphenoxy)butyl]-2-[(2,5-dimethylphenoxy)methyl]benzimidazole
CID 16998033
1-[3-(4-methylphenoxy)propyl]-2-(phenoxymethyl)benzimidazole
CID 5201852
2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1-(3-naphthalen-2-yloxypropyl)benzimidazole
CID 18879369

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylphenoxy)methyl]-1-(3-naphthalen-2-yloxypropyl)benzimidazole?
The IUPAC name of 2-[(4-tert-butylphenoxy)methyl]-1-(3-naphthalen-2-yloxypropyl)benzimidazole (CID 18879409) is 2-[(4-tert-butylphenoxy)methyl]-1-(3-naphthalen-2-yloxypropyl)benzimidazole.
What is the SMILES notation for 2-[(4-tert-butylphenoxy)methyl]-1-(3-naphthalen-2-yloxypropyl)benzimidazole?
The canonical SMILES for 2-[(4-tert-butylphenoxy)methyl]-1-(3-naphthalen-2-yloxypropyl)benzimidazole is CC(C)(C)c1ccc(OCc2nc3ccccc3n2CCCOc2ccc3ccccc3c2)cc1.
What is the InChIKey of 2-[(4-tert-butylphenoxy)methyl]-1-(3-naphthalen-2-yloxypropyl)benzimidazole?
The InChIKey is RIWTVJJHASIYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N2O2/c1-31(2,3)25-14-17-26(18-15-25)35-22-30-32-28-11-6-7-12-29(28)33(30)19-8-20-34-27-16-13-23-9-4-5-10-24(23)21-27/h4-7,9-18,21H,8,19-20,22H2,1-3H3.
What are the key properties of 2-[(4-tert-butylphenoxy)methyl]-1-(3-naphthalen-2-yloxypropyl)benzimidazole?
2-[(4-tert-butylphenoxy)methyl]-1-(3-naphthalen-2-yloxypropyl)benzimidazole has a molecular weight of 464.61 g/mol, XLogP of 7.54, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylphenoxy)methyl]-1-(3-naphthalen-2-yloxypropyl)benzimidazole is sourced from PubChem (CID 18879409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).