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

C22H22N2O — CID 962244

IUPAC1-(2-methylpropyl)-2-(naphthalen-1-yloxymethyl)benzimidazole
SMILESCC(C)Cn1c(COc2cccc3ccccc23)nc2ccccc21
InChIInChI=1S/C22H22N2O/c1-16(2)14-24-20-12-6-5-11-19(20)23-22(24)15-25-21-13-7-9-17-8-3-4-10-18(17)21/h3-13,16H,14-15H2,1-2H3
InChIKeyQFHVJLLNNBIWSO-UHFFFAOYSA-N
MW330.43 g/mol
LogP5.42
Rot. Bonds5

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

1-(2-methylpropyl)-2-(naphthalen-1-yloxymethyl)benzimidazole (PubChem CID 962244) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-(2-methylpropyl)-2-(naphthalen-1-yloxymethyl)benzimidazole.

Molecular Properties

Compound Name1-(2-methylpropyl)-2-(naphthalen-1-yloxymethyl)benzimidazole
PubChem CID962244
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC Name1-(2-methylpropyl)-2-(naphthalen-1-yloxymethyl)benzimidazole
SMILESCC(C)Cn1c(COc2cccc3ccccc23)nc2ccccc21
InChIInChI=1S/C22H22N2O/c1-16(2)14-24-20-12-6-5-11-19(20)23-22(24)15-25-21-13-7-9-17-8-3-4-10-18(17)21/h3-13,16H,14-15H2,1-2H3
InChIKeyQFHVJLLNNBIWSO-UHFFFAOYSA-N
XLogP5.42
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.43
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-dodecyl-2-(naphthalen-1-yloxymethyl)benzimidazole
CID 16999339
N,N-bis(2-methylpropyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide
CID 16999427
1-(2-methylpropyl)-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole
CID 18878080
2-[(2,4-dimethylphenoxy)methyl]-1-(2-methylpropyl)benzimidazole
CID 46310807
2-(naphthalen-1-yloxymethyl)-1-(3-phenoxypropyl)benzimidazole
CID 3472678
1-[(2-chlorophenyl)methyl]-2-(naphthalen-1-yloxymethyl)benzimidazole
CID 4296806
2-[(2,4-dichlorophenoxy)methyl]-1-(2-methylpropyl)benzimidazole
CID 709669
2-(naphthalen-1-yloxymethyl)-1-(4-phenoxybutyl)benzimidazole
CID 16999401
2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1-(3-naphthalen-1-yloxypropyl)benzimidazole
CID 18879368
N-benzyl-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]-N-propan-2-ylacetamide
CID 16999447
1-[3-(3-methylphenoxy)propyl]-2-(naphthalen-1-yloxymethyl)benzimidazole
CID 16999387
1-[4-(2,5-dimethylphenoxy)butyl]-2-(naphthalen-1-yloxymethyl)benzimidazole
CID 16999405

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-2-(naphthalen-1-yloxymethyl)benzimidazole?
The IUPAC name of 1-(2-methylpropyl)-2-(naphthalen-1-yloxymethyl)benzimidazole (CID 962244) is 1-(2-methylpropyl)-2-(naphthalen-1-yloxymethyl)benzimidazole.
What is the SMILES notation for 1-(2-methylpropyl)-2-(naphthalen-1-yloxymethyl)benzimidazole?
The canonical SMILES for 1-(2-methylpropyl)-2-(naphthalen-1-yloxymethyl)benzimidazole is CC(C)Cn1c(COc2cccc3ccccc23)nc2ccccc21.
What is the InChIKey of 1-(2-methylpropyl)-2-(naphthalen-1-yloxymethyl)benzimidazole?
The InChIKey is QFHVJLLNNBIWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O/c1-16(2)14-24-20-12-6-5-11-19(20)23-22(24)15-25-21-13-7-9-17-8-3-4-10-18(17)21/h3-13,16H,14-15H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-2-(naphthalen-1-yloxymethyl)benzimidazole?
1-(2-methylpropyl)-2-(naphthalen-1-yloxymethyl)benzimidazole has a molecular weight of 330.43 g/mol, XLogP of 5.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-2-(naphthalen-1-yloxymethyl)benzimidazole is sourced from PubChem (CID 962244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).