2-[(4-methylphenoxy)methyl]-1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazole

C26H28N2O — CID 16998189

IUPAC2-[(4-methylphenoxy)methyl]-1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazole
SMILESCc1ccc(OCc2nc3ccccc3n2Cc2c(C)c(C)cc(C)c2C)cc1
InChIInChI=1S/C26H28N2O/c1-17-10-12-22(13-11-17)29-16-26-27-24-8-6-7-9-25(24)28(26)15-23-20(4)18(2)14-19(3)21(23)5/h6-14H,15-16H2,1-5H3
InChIKeyIIFWUSJFHOSFAA-UHFFFAOYSA-N
MW384.52 g/mol
LogP6.21
Rot. Bonds5

About 2-[(4-methylphenoxy)methyl]-1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazole

2-[(4-methylphenoxy)methyl]-1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazole (PubChem CID 16998189) has the molecular formula C26H28N2O and a molecular weight of 384.52 g/mol. Its IUPAC name is 2-[(4-methylphenoxy)methyl]-1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazole.

Molecular Properties

Compound Name2-[(4-methylphenoxy)methyl]-1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazole
PubChem CID16998189
Molecular FormulaC26H28N2O
Molecular Weight384.52 g/mol
Exact Mass384.22
IUPAC Name2-[(4-methylphenoxy)methyl]-1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazole
SMILESCc1ccc(OCc2nc3ccccc3n2Cc2c(C)c(C)cc(C)c2C)cc1
InChIInChI=1S/C26H28N2O/c1-17-10-12-22(13-11-17)29-16-26-27-24-8-6-7-9-25(24)28(26)15-23-20(4)18(2)14-19(3)21(23)5/h6-14H,15-16H2,1-5H3
InChIKeyIIFWUSJFHOSFAA-UHFFFAOYSA-N
XLogP6.21
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.52
LogP ≤ 56.21
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-(naphthalen-2-yloxymethyl)-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole
CID 4631817
3,5-dimethyl-4-[[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]methyl]-1,2-oxazole
CID 78766650
1-[(2-methoxyphenyl)methyl]-2-[(4-methylphenoxy)methyl]benzimidazole
CID 16998195
1-[3-(4-methylphenoxy)propyl]-2-(phenoxymethyl)benzimidazole
CID 5201852
4-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]butan-1-amine
CID 94747495
1-(4-methylphenoxy)-3-[2-(phenoxymethyl)benzimidazol-1-yl]propan-2-ol
CID 43837450
2-[(4-methylphenoxy)methyl]-1-[[(2S)-oxolan-2-yl]methyl]benzimidazole
CID 100659308
1-(4-methylphenoxy)-3-[2-[(2,4,6-trimethylphenoxy)methyl]benzimidazol-1-yl]propan-2-ol
CID 156620697
1-benzyl-2-(phenoxymethyl)benzimidazole
CID 712249
2-[(4-tert-butylphenoxy)methyl]-1-[3-(4-methylphenoxy)propyl]benzimidazole
CID 3848445
2-[(4-ethylphenoxy)methyl]-1-[3-(4-methylphenoxy)propyl]benzimidazole
CID 16998389

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenoxy)methyl]-1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazole?
The IUPAC name of 2-[(4-methylphenoxy)methyl]-1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazole (CID 16998189) is 2-[(4-methylphenoxy)methyl]-1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazole.
What is the SMILES notation for 2-[(4-methylphenoxy)methyl]-1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazole?
The canonical SMILES for 2-[(4-methylphenoxy)methyl]-1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazole is Cc1ccc(OCc2nc3ccccc3n2Cc2c(C)c(C)cc(C)c2C)cc1.
What is the InChIKey of 2-[(4-methylphenoxy)methyl]-1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazole?
The InChIKey is IIFWUSJFHOSFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O/c1-17-10-12-22(13-11-17)29-16-26-27-24-8-6-7-9-25(24)28(26)15-23-20(4)18(2)14-19(3)21(23)5/h6-14H,15-16H2,1-5H3.
What are the key properties of 2-[(4-methylphenoxy)methyl]-1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazole?
2-[(4-methylphenoxy)methyl]-1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazole has a molecular weight of 384.52 g/mol, XLogP of 6.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenoxy)methyl]-1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazole is sourced from PubChem (CID 16998189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).