2-[(2,5-dimethylphenoxy)methyl]-1-(naphthalen-2-ylmethyl)benzimidazole

C27H24N2O — CID 18878170

IUPAC2-[(2,5-dimethylphenoxy)methyl]-1-(naphthalen-2-ylmethyl)benzimidazole
SMILESCc1ccc(C)c(OCc2nc3ccccc3n2Cc2ccc3ccccc3c2)c1
InChIInChI=1S/C27H24N2O/c1-19-11-12-20(2)26(15-19)30-18-27-28-24-9-5-6-10-25(24)29(27)17-21-13-14-22-7-3-4-8-23(22)16-21/h3-16H,17-18H2,1-2H3
InChIKeyILURTQZHJHNSAC-UHFFFAOYSA-N
MW392.50 g/mol
LogP6.43
Rot. Bonds5

About 2-[(2,5-dimethylphenoxy)methyl]-1-(naphthalen-2-ylmethyl)benzimidazole

2-[(2,5-dimethylphenoxy)methyl]-1-(naphthalen-2-ylmethyl)benzimidazole (PubChem CID 18878170) has the molecular formula C27H24N2O and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenoxy)methyl]-1-(naphthalen-2-ylmethyl)benzimidazole.

Molecular Properties

Compound Name2-[(2,5-dimethylphenoxy)methyl]-1-(naphthalen-2-ylmethyl)benzimidazole
PubChem CID18878170
Molecular FormulaC27H24N2O
Molecular Weight392.50 g/mol
Exact Mass392.19
IUPAC Name2-[(2,5-dimethylphenoxy)methyl]-1-(naphthalen-2-ylmethyl)benzimidazole
SMILESCc1ccc(C)c(OCc2nc3ccccc3n2Cc2ccc3ccccc3c2)c1
InChIInChI=1S/C27H24N2O/c1-19-11-12-20(2)26(15-19)30-18-27-28-24-9-5-6-10-25(24)29(27)17-21-13-14-22-7-3-4-8-23(22)16-21/h3-16H,17-18H2,1-2H3
InChIKeyILURTQZHJHNSAC-UHFFFAOYSA-N
XLogP6.43
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3,4-dichlorophenyl)methyl]-2-[(2,5-dimethylphenoxy)methyl]benzimidazole
CID 18878159
1-[2-(2,5-dimethylphenoxy)ethyl]-2-(naphthalen-2-yloxymethyl)benzimidazole
CID 16999241
2-[2-[(2,5-dimethylphenoxy)methyl]benzimidazol-1-yl]acetonitrile
CID 39151486
2-[(2,5-dimethylphenoxy)methyl]-1-(3-methylbutyl)benzimidazole
CID 18878149
2-[[5-methyl-1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]methoxy]benzoic acid
CID 142221103
ethyl 2-[2-[(2,5-dimethylphenoxy)methyl]benzimidazol-1-yl]acetate
CID 16998057
1-[4-(2,5-dimethylphenoxy)butyl]-2-(naphthalen-1-yloxymethyl)benzimidazole
CID 16999405
2-[(2,5-dimethylphenoxy)methyl]-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole
CID 16998007
2-[(2,5-dimethylphenoxy)methyl]-1-[4-(3-methoxyphenoxy)butyl]benzimidazole
CID 16998028
2-[(2,5-dimethylphenoxy)methyl]-1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazole
CID 16998023
1-[(4-tert-butylphenyl)methyl]-2-[(2-methylphenoxy)methyl]benzimidazole
CID 16997714
2-(naphthalen-2-yloxymethyl)-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole
CID 4631817

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenoxy)methyl]-1-(naphthalen-2-ylmethyl)benzimidazole?
The IUPAC name of 2-[(2,5-dimethylphenoxy)methyl]-1-(naphthalen-2-ylmethyl)benzimidazole (CID 18878170) is 2-[(2,5-dimethylphenoxy)methyl]-1-(naphthalen-2-ylmethyl)benzimidazole.
What is the SMILES notation for 2-[(2,5-dimethylphenoxy)methyl]-1-(naphthalen-2-ylmethyl)benzimidazole?
The canonical SMILES for 2-[(2,5-dimethylphenoxy)methyl]-1-(naphthalen-2-ylmethyl)benzimidazole is Cc1ccc(C)c(OCc2nc3ccccc3n2Cc2ccc3ccccc3c2)c1.
What is the InChIKey of 2-[(2,5-dimethylphenoxy)methyl]-1-(naphthalen-2-ylmethyl)benzimidazole?
The InChIKey is ILURTQZHJHNSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O/c1-19-11-12-20(2)26(15-19)30-18-27-28-24-9-5-6-10-25(24)29(27)17-21-13-14-22-7-3-4-8-23(22)16-21/h3-16H,17-18H2,1-2H3.
What are the key properties of 2-[(2,5-dimethylphenoxy)methyl]-1-(naphthalen-2-ylmethyl)benzimidazole?
2-[(2,5-dimethylphenoxy)methyl]-1-(naphthalen-2-ylmethyl)benzimidazole has a molecular weight of 392.50 g/mol, XLogP of 6.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylphenoxy)methyl]-1-(naphthalen-2-ylmethyl)benzimidazole is sourced from PubChem (CID 18878170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).