1-[2-(2,4-dimethylphenoxy)ethyl]-2-[(2-methylphenyl)methyl]benzimidazole

C25H26N2O — CID 16996115

IUPAC1-[2-(2,4-dimethylphenoxy)ethyl]-2-[(2-methylphenyl)methyl]benzimidazole
SMILESCc1ccc(OCCn2c(Cc3ccccc3C)nc3ccccc32)c(C)c1
InChIInChI=1S/C25H26N2O/c1-18-12-13-24(20(3)16-18)28-15-14-27-23-11-7-6-10-22(23)26-25(27)17-21-9-5-4-8-19(21)2/h4-13,16H,14-15,17H2,1-3H3
InChIKeyVWLWMTYMXIFNNX-UHFFFAOYSA-N
MW370.50 g/mol
LogP5.63
Rot. Bonds6

About 1-[2-(2,4-dimethylphenoxy)ethyl]-2-[(2-methylphenyl)methyl]benzimidazole

1-[2-(2,4-dimethylphenoxy)ethyl]-2-[(2-methylphenyl)methyl]benzimidazole (PubChem CID 16996115) has the molecular formula C25H26N2O and a molecular weight of 370.50 g/mol. Its IUPAC name is 1-[2-(2,4-dimethylphenoxy)ethyl]-2-[(2-methylphenyl)methyl]benzimidazole.

Molecular Properties

Compound Name1-[2-(2,4-dimethylphenoxy)ethyl]-2-[(2-methylphenyl)methyl]benzimidazole
PubChem CID16996115
Molecular FormulaC25H26N2O
Molecular Weight370.50 g/mol
Exact Mass370.20
IUPAC Name1-[2-(2,4-dimethylphenoxy)ethyl]-2-[(2-methylphenyl)methyl]benzimidazole
SMILESCc1ccc(OCCn2c(Cc3ccccc3C)nc3ccccc32)c(C)c1
InChIInChI=1S/C25H26N2O/c1-18-12-13-24(20(3)16-18)28-15-14-27-23-11-7-6-10-22(23)26-25(27)17-21-9-5-4-8-19(21)2/h4-13,16H,14-15,17H2,1-3H3
InChIKeyVWLWMTYMXIFNNX-UHFFFAOYSA-N
XLogP5.63
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.50
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-methylphenoxy)ethyl]-2-[(2-methylphenyl)methyl]benzimidazole
CID 16996113
2-[(2-methylphenyl)methyl]-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole
CID 16996118
2-benzyl-1-[3-(2,4-dimethylphenoxy)propyl]benzimidazole
CID 16995586
1-[2-(2,4-dimethylphenoxy)ethyl]-2-(2-phenylethyl)benzimidazole
CID 16999468
1-(2-methoxyethyl)-2-[(2-methylphenyl)methyl]benzimidazole
CID 16996191
2-[(4-chlorophenyl)methyl]-1-[3-(2,4-dimethylphenoxy)propyl]benzimidazole
CID 18878462
N-[[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-ethylbutanamide
CID 17006396
1-[2-(2,4-dimethylphenoxy)ethyl]-2-propan-2-ylbenzimidazole
CID 16996509
1-[4-(2,4-dimethylphenoxy)butyl]-2-[(4-methoxyphenyl)methyl]benzimidazole
CID 16995939
N-[[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-methylprop-2-enamide
CID 16972405
N-[[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-methoxyacetamide
CID 17006551
N-[5-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]-2-(2-methylphenyl)acetamide
CID 16993587

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dimethylphenoxy)ethyl]-2-[(2-methylphenyl)methyl]benzimidazole?
The IUPAC name of 1-[2-(2,4-dimethylphenoxy)ethyl]-2-[(2-methylphenyl)methyl]benzimidazole (CID 16996115) is 1-[2-(2,4-dimethylphenoxy)ethyl]-2-[(2-methylphenyl)methyl]benzimidazole.
What is the SMILES notation for 1-[2-(2,4-dimethylphenoxy)ethyl]-2-[(2-methylphenyl)methyl]benzimidazole?
The canonical SMILES for 1-[2-(2,4-dimethylphenoxy)ethyl]-2-[(2-methylphenyl)methyl]benzimidazole is Cc1ccc(OCCn2c(Cc3ccccc3C)nc3ccccc32)c(C)c1.
What is the InChIKey of 1-[2-(2,4-dimethylphenoxy)ethyl]-2-[(2-methylphenyl)methyl]benzimidazole?
The InChIKey is VWLWMTYMXIFNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O/c1-18-12-13-24(20(3)16-18)28-15-14-27-23-11-7-6-10-22(23)26-25(27)17-21-9-5-4-8-19(21)2/h4-13,16H,14-15,17H2,1-3H3.
What are the key properties of 1-[2-(2,4-dimethylphenoxy)ethyl]-2-[(2-methylphenyl)methyl]benzimidazole?
1-[2-(2,4-dimethylphenoxy)ethyl]-2-[(2-methylphenyl)methyl]benzimidazole has a molecular weight of 370.50 g/mol, XLogP of 5.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dimethylphenoxy)ethyl]-2-[(2-methylphenyl)methyl]benzimidazole is sourced from PubChem (CID 16996115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).