2-(naphthalen-2-yloxymethyl)-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole

C28H26N2O — CID 4631817

IUPAC2-(naphthalen-2-yloxymethyl)-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole
SMILESCc1cc(C)c(Cn2c(COc3ccc4ccccc4c3)nc3ccccc32)c(C)c1
InChIInChI=1S/C28H26N2O/c1-19-14-20(2)25(21(3)15-19)17-30-27-11-7-6-10-26(27)29-28(30)18-31-24-13-12-22-8-4-5-9-23(22)16-24/h4-16H,17-18H2,1-3H3
InChIKeyOUNPLWYMNJEYIV-UHFFFAOYSA-N
MW406.53 g/mol
LogP6.74
Rot. Bonds5

About 2-(naphthalen-2-yloxymethyl)-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole

2-(naphthalen-2-yloxymethyl)-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole (PubChem CID 4631817) has the molecular formula C28H26N2O and a molecular weight of 406.53 g/mol. Its IUPAC name is 2-(naphthalen-2-yloxymethyl)-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole.

Molecular Properties

Compound Name2-(naphthalen-2-yloxymethyl)-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole
PubChem CID4631817
Molecular FormulaC28H26N2O
Molecular Weight406.53 g/mol
Exact Mass406.20
IUPAC Name2-(naphthalen-2-yloxymethyl)-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole
SMILESCc1cc(C)c(Cn2c(COc3ccc4ccccc4c3)nc3ccccc32)c(C)c1
InChIInChI=1S/C28H26N2O/c1-19-14-20(2)25(21(3)15-19)17-30-27-11-7-6-10-26(27)29-28(30)18-31-24-13-12-22-8-4-5-9-23(22)16-24/h4-16H,17-18H2,1-3H3
InChIKeyOUNPLWYMNJEYIV-UHFFFAOYSA-N
XLogP6.74
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.53
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenoxy)methyl]-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole
CID 16997069
2-[(4-methylphenoxy)methyl]-1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazole
CID 16998189
1-[2-(2,5-dimethylphenoxy)ethyl]-2-(naphthalen-2-yloxymethyl)benzimidazole
CID 16999241
3,5-dimethyl-4-[[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]methyl]-1,2-oxazole
CID 78766650
2-(naphthalen-2-yloxymethyl)-1-undecylbenzimidazole
CID 4238705
1-hexyl-2-(naphthalen-2-yloxymethyl)benzimidazole
CID 4631814
1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(naphthalen-2-yloxymethyl)benzimidazole
CID 16999253
2-[(2,5-dimethylphenoxy)methyl]-1-(naphthalen-2-ylmethyl)benzimidazole
CID 18878170
1-(4-naphthalen-2-yloxybutyl)-2-(phenoxymethyl)benzimidazole
CID 18879280
2-[(4-chlorophenoxy)methyl]-1-(2-naphthalen-2-yloxyethyl)benzimidazole
CID 18879299
2-[(4-tert-butylphenoxy)methyl]-1-(3-naphthalen-2-yloxypropyl)benzimidazole
CID 18879409
N-(3-methylphenyl)-2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]acetamide
CID 17032304

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-2-yloxymethyl)-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole?
The IUPAC name of 2-(naphthalen-2-yloxymethyl)-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole (CID 4631817) is 2-(naphthalen-2-yloxymethyl)-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole.
What is the SMILES notation for 2-(naphthalen-2-yloxymethyl)-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole?
The canonical SMILES for 2-(naphthalen-2-yloxymethyl)-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole is Cc1cc(C)c(Cn2c(COc3ccc4ccccc4c3)nc3ccccc32)c(C)c1.
What is the InChIKey of 2-(naphthalen-2-yloxymethyl)-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole?
The InChIKey is OUNPLWYMNJEYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O/c1-19-14-20(2)25(21(3)15-19)17-30-27-11-7-6-10-26(27)29-28(30)18-31-24-13-12-22-8-4-5-9-23(22)16-24/h4-16H,17-18H2,1-3H3.
What are the key properties of 2-(naphthalen-2-yloxymethyl)-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole?
2-(naphthalen-2-yloxymethyl)-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole has a molecular weight of 406.53 g/mol, XLogP of 6.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-2-yloxymethyl)-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole is sourced from PubChem (CID 4631817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).