1-dodecyl-2-(naphthalen-1-yloxymethyl)benzimidazole

C30H38N2O — CID 16999339

IUPAC1-dodecyl-2-(naphthalen-1-yloxymethyl)benzimidazole
SMILESCCCCCCCCCCCCn1c(COc2cccc3ccccc23)nc2ccccc21
InChIInChI=1S/C30H38N2O/c1-2-3-4-5-6-7-8-9-10-15-23-32-28-21-14-13-20-27(28)31-30(32)24-33-29-22-16-18-25-17-11-12-19-26(25)29/h11-14,16-22H,2-10,15,23-24H2,1H3
InChIKeyXLWNHOGOAKEQAI-UHFFFAOYSA-N
MW442.65 g/mol
LogP8.69
Rot. Bonds14

About 1-dodecyl-2-(naphthalen-1-yloxymethyl)benzimidazole

1-dodecyl-2-(naphthalen-1-yloxymethyl)benzimidazole (PubChem CID 16999339) has the molecular formula C30H38N2O and a molecular weight of 442.65 g/mol. Its IUPAC name is 1-dodecyl-2-(naphthalen-1-yloxymethyl)benzimidazole.

Molecular Properties

Compound Name1-dodecyl-2-(naphthalen-1-yloxymethyl)benzimidazole
PubChem CID16999339
Molecular FormulaC30H38N2O
Molecular Weight442.65 g/mol
Exact Mass442.30
IUPAC Name1-dodecyl-2-(naphthalen-1-yloxymethyl)benzimidazole
SMILESCCCCCCCCCCCCn1c(COc2cccc3ccccc23)nc2ccccc21
InChIInChI=1S/C30H38N2O/c1-2-3-4-5-6-7-8-9-10-15-23-32-28-21-14-13-20-27(28)31-30(32)24-33-29-22-16-18-25-17-11-12-19-26(25)29/h11-14,16-22H,2-10,15,23-24H2,1H3
InChIKeyXLWNHOGOAKEQAI-UHFFFAOYSA-N
XLogP8.69
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.65
LogP ≤ 58.69
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

2-(naphthalen-1-yloxymethyl)-1-(4-phenoxybutyl)benzimidazole
CID 16999401
2-[(2-chlorophenoxy)methyl]-1-nonylbenzimidazole
CID 16997296
2-(naphthalen-1-yloxymethyl)-1-(3-phenoxypropyl)benzimidazole
CID 3472678
1-(2-methylpropyl)-2-(naphthalen-1-yloxymethyl)benzimidazole
CID 962244
1-dodecyl-2-(methoxymethyl)benzimidazole
CID 16996870
1-[4-(2,5-dimethylphenoxy)butyl]-2-(naphthalen-1-yloxymethyl)benzimidazole
CID 16999405
1-[3-(3-methylphenoxy)propyl]-2-(naphthalen-1-yloxymethyl)benzimidazole
CID 16999387
2-(naphthalen-2-yloxymethyl)-1-undecylbenzimidazole
CID 4238705
1-hexyl-2-(naphthalen-2-yloxymethyl)benzimidazole
CID 4631814
1-decyl-2-[(4-ethylphenoxy)methyl]benzimidazole
CID 16998310
2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1-(3-naphthalen-1-yloxypropyl)benzimidazole
CID 18879368
1-heptyl-2-[(5-methyl-2-propan-2-ylphenoxy)methyl]benzimidazole
CID 16997577

Frequently Asked Questions

What is the IUPAC name of 1-dodecyl-2-(naphthalen-1-yloxymethyl)benzimidazole?
The IUPAC name of 1-dodecyl-2-(naphthalen-1-yloxymethyl)benzimidazole (CID 16999339) is 1-dodecyl-2-(naphthalen-1-yloxymethyl)benzimidazole.
What is the SMILES notation for 1-dodecyl-2-(naphthalen-1-yloxymethyl)benzimidazole?
The canonical SMILES for 1-dodecyl-2-(naphthalen-1-yloxymethyl)benzimidazole is CCCCCCCCCCCCn1c(COc2cccc3ccccc23)nc2ccccc21.
What is the InChIKey of 1-dodecyl-2-(naphthalen-1-yloxymethyl)benzimidazole?
The InChIKey is XLWNHOGOAKEQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N2O/c1-2-3-4-5-6-7-8-9-10-15-23-32-28-21-14-13-20-27(28)31-30(32)24-33-29-22-16-18-25-17-11-12-19-26(25)29/h11-14,16-22H,2-10,15,23-24H2,1H3.
What are the key properties of 1-dodecyl-2-(naphthalen-1-yloxymethyl)benzimidazole?
1-dodecyl-2-(naphthalen-1-yloxymethyl)benzimidazole has a molecular weight of 442.65 g/mol, XLogP of 8.69, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecyl-2-(naphthalen-1-yloxymethyl)benzimidazole is sourced from PubChem (CID 16999339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).