2-(naphthalen-1-yloxymethyl)-1-(3-phenoxypropyl)benzimidazole

C27H24N2O2 — CID 3472678

IUPAC2-(naphthalen-1-yloxymethyl)-1-(3-phenoxypropyl)benzimidazole
SMILESc1ccc(OCCCn2c(COc3cccc4ccccc34)nc3ccccc32)cc1
InChIInChI=1S/C27H24N2O2/c1-2-12-22(13-3-1)30-19-9-18-29-25-16-7-6-15-24(25)28-27(29)20-31-26-17-8-11-21-10-4-5-14-23(21)26/h1-8,10-17H,9,18-20H2
InChIKeyCIOHIUABZLWWPM-UHFFFAOYSA-N
MW408.50 g/mol
LogP6.24
Rot. Bonds8

About 2-(naphthalen-1-yloxymethyl)-1-(3-phenoxypropyl)benzimidazole

2-(naphthalen-1-yloxymethyl)-1-(3-phenoxypropyl)benzimidazole (PubChem CID 3472678) has the molecular formula C27H24N2O2 and a molecular weight of 408.50 g/mol. Its IUPAC name is 2-(naphthalen-1-yloxymethyl)-1-(3-phenoxypropyl)benzimidazole.

Molecular Properties

Compound Name2-(naphthalen-1-yloxymethyl)-1-(3-phenoxypropyl)benzimidazole
PubChem CID3472678
Molecular FormulaC27H24N2O2
Molecular Weight408.50 g/mol
Exact Mass408.18
IUPAC Name2-(naphthalen-1-yloxymethyl)-1-(3-phenoxypropyl)benzimidazole
SMILESc1ccc(OCCCn2c(COc3cccc4ccccc34)nc3ccccc32)cc1
InChIInChI=1S/C27H24N2O2/c1-2-12-22(13-3-1)30-19-9-18-29-25-16-7-6-15-24(25)28-27(29)20-31-26-17-8-11-21-10-4-5-14-23(21)26/h1-8,10-17H,9,18-20H2
InChIKeyCIOHIUABZLWWPM-UHFFFAOYSA-N
XLogP6.24
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.50
LogP ≤ 56.24
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-(naphthalen-1-yloxymethyl)-1-(4-phenoxybutyl)benzimidazole
CID 16999401
1-[3-(3-methylphenoxy)propyl]-2-(naphthalen-1-yloxymethyl)benzimidazole
CID 16999387
1-dodecyl-2-(naphthalen-1-yloxymethyl)benzimidazole
CID 16999339
2-[(2-methoxyphenoxy)methyl]-1-(4-phenoxybutyl)benzimidazole
CID 16997524
1-(2-phenoxyethyl)-2-(phenoxymethyl)benzimidazole
CID 709525
1-[3-(4-methylphenoxy)propyl]-2-(phenoxymethyl)benzimidazole
CID 5201852
2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1-(3-naphthalen-1-yloxypropyl)benzimidazole
CID 18879368
1-(2-methylpropyl)-2-(naphthalen-1-yloxymethyl)benzimidazole
CID 962244
1-(4-naphthalen-2-yloxybutyl)-2-(phenoxymethyl)benzimidazole
CID 18879280
1-[4-(2,5-dimethylphenoxy)butyl]-2-(naphthalen-1-yloxymethyl)benzimidazole
CID 16999405
2-[(2-chlorophenoxy)methyl]-1-[3-(4-methoxyphenoxy)propyl]benzimidazole
CID 16997380
1-(4-naphthalen-1-yloxybutyl)-2-(2-phenylethyl)benzimidazole
CID 18879265

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-1-yloxymethyl)-1-(3-phenoxypropyl)benzimidazole?
The IUPAC name of 2-(naphthalen-1-yloxymethyl)-1-(3-phenoxypropyl)benzimidazole (CID 3472678) is 2-(naphthalen-1-yloxymethyl)-1-(3-phenoxypropyl)benzimidazole.
What is the SMILES notation for 2-(naphthalen-1-yloxymethyl)-1-(3-phenoxypropyl)benzimidazole?
The canonical SMILES for 2-(naphthalen-1-yloxymethyl)-1-(3-phenoxypropyl)benzimidazole is c1ccc(OCCCn2c(COc3cccc4ccccc34)nc3ccccc32)cc1.
What is the InChIKey of 2-(naphthalen-1-yloxymethyl)-1-(3-phenoxypropyl)benzimidazole?
The InChIKey is CIOHIUABZLWWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O2/c1-2-12-22(13-3-1)30-19-9-18-29-25-16-7-6-15-24(25)28-27(29)20-31-26-17-8-11-21-10-4-5-14-23(21)26/h1-8,10-17H,9,18-20H2.
What are the key properties of 2-(naphthalen-1-yloxymethyl)-1-(3-phenoxypropyl)benzimidazole?
2-(naphthalen-1-yloxymethyl)-1-(3-phenoxypropyl)benzimidazole has a molecular weight of 408.50 g/mol, XLogP of 6.24, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-1-yloxymethyl)-1-(3-phenoxypropyl)benzimidazole is sourced from PubChem (CID 3472678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).