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

C25H26N2O — CID 16999468

IUPAC1-[2-(2,4-dimethylphenoxy)ethyl]-2-(2-phenylethyl)benzimidazole
SMILESCc1ccc(OCCn2c(CCc3ccccc3)nc3ccccc32)c(C)c1
InChIInChI=1S/C25H26N2O/c1-19-12-14-24(20(2)18-19)28-17-16-27-23-11-7-6-10-22(23)26-25(27)15-13-21-8-4-3-5-9-21/h3-12,14,18H,13,15-17H2,1-2H3
InChIKeyCOOZHZQSMIXXHU-UHFFFAOYSA-N
MW370.50 g/mol
LogP5.52
Rot. Bonds7

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

1-[2-(2,4-dimethylphenoxy)ethyl]-2-(2-phenylethyl)benzimidazole (PubChem CID 16999468) 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-phenylethyl)benzimidazole.

Molecular Properties

Compound Name1-[2-(2,4-dimethylphenoxy)ethyl]-2-(2-phenylethyl)benzimidazole
PubChem CID16999468
Molecular FormulaC25H26N2O
Molecular Weight370.50 g/mol
Exact Mass370.20
IUPAC Name1-[2-(2,4-dimethylphenoxy)ethyl]-2-(2-phenylethyl)benzimidazole
SMILESCc1ccc(OCCn2c(CCc3ccccc3)nc3ccccc32)c(C)c1
InChIInChI=1S/C25H26N2O/c1-19-12-14-24(20(2)18-19)28-17-16-27-23-11-7-6-10-22(23)26-25(27)15-13-21-8-4-3-5-9-21/h3-12,14,18H,13,15-17H2,1-2H3
InChIKeyCOOZHZQSMIXXHU-UHFFFAOYSA-N
XLogP5.52
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.50
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-1-[3-(2,4-dimethylphenoxy)propyl]benzimidazole
CID 16995586
1-[2-(2,4-dimethylphenoxy)ethyl]-2-[(2-methylphenyl)methyl]benzimidazole
CID 16996115
1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]-2-(2-phenylethyl)benzimidazole
CID 18879267
N-[5-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide
CID 16987862
1-[2-(2,4-dimethylphenoxy)ethyl]-2-propan-2-ylbenzimidazole
CID 16996509
1-[3-(2,4-dimethylphenoxy)propyl]-2-(3-pyrrolidin-1-ylpropyl)benzimidazole
CID 18885573
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-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]propanamide
CID 16988024
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
N-[2-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 16975810

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dimethylphenoxy)ethyl]-2-(2-phenylethyl)benzimidazole?
The IUPAC name of 1-[2-(2,4-dimethylphenoxy)ethyl]-2-(2-phenylethyl)benzimidazole (CID 16999468) is 1-[2-(2,4-dimethylphenoxy)ethyl]-2-(2-phenylethyl)benzimidazole.
What is the SMILES notation for 1-[2-(2,4-dimethylphenoxy)ethyl]-2-(2-phenylethyl)benzimidazole?
The canonical SMILES for 1-[2-(2,4-dimethylphenoxy)ethyl]-2-(2-phenylethyl)benzimidazole is Cc1ccc(OCCn2c(CCc3ccccc3)nc3ccccc32)c(C)c1.
What is the InChIKey of 1-[2-(2,4-dimethylphenoxy)ethyl]-2-(2-phenylethyl)benzimidazole?
The InChIKey is COOZHZQSMIXXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O/c1-19-12-14-24(20(2)18-19)28-17-16-27-23-11-7-6-10-22(23)26-25(27)15-13-21-8-4-3-5-9-21/h3-12,14,18H,13,15-17H2,1-2H3.
What are the key properties of 1-[2-(2,4-dimethylphenoxy)ethyl]-2-(2-phenylethyl)benzimidazole?
1-[2-(2,4-dimethylphenoxy)ethyl]-2-(2-phenylethyl)benzimidazole has a molecular weight of 370.50 g/mol, XLogP of 5.52, 7 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-phenylethyl)benzimidazole is sourced from PubChem (CID 16999468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).