2-[(2,4-dichlorophenoxy)methyl]-1-[4-(4-methoxyphenoxy)butyl]benzimidazole

C25H24Cl2N2O3 — CID 16997248

IUPAC2-[(2,4-dichlorophenoxy)methyl]-1-[4-(4-methoxyphenoxy)butyl]benzimidazole
SMILESCOc1ccc(OCCCCn2c(COc3ccc(Cl)cc3Cl)nc3ccccc32)cc1
InChIInChI=1S/C25H24Cl2N2O3/c1-30-19-9-11-20(12-10-19)31-15-5-4-14-29-23-7-3-2-6-22(23)28-25(29)17-32-24-13-8-18(26)16-21(24)27/h2-3,6-13,16H,4-5,14-15,17H2,1H3
InChIKeyOGGFBJHYYWQIHO-UHFFFAOYSA-N
MW471.38 g/mol
LogP6.79
Rot. Bonds10

About 2-[(2,4-dichlorophenoxy)methyl]-1-[4-(4-methoxyphenoxy)butyl]benzimidazole

2-[(2,4-dichlorophenoxy)methyl]-1-[4-(4-methoxyphenoxy)butyl]benzimidazole (PubChem CID 16997248) has the molecular formula C25H24Cl2N2O3 and a molecular weight of 471.38 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenoxy)methyl]-1-[4-(4-methoxyphenoxy)butyl]benzimidazole.

Molecular Properties

Compound Name2-[(2,4-dichlorophenoxy)methyl]-1-[4-(4-methoxyphenoxy)butyl]benzimidazole
PubChem CID16997248
Molecular FormulaC25H24Cl2N2O3
Molecular Weight471.38 g/mol
Exact Mass470.12
IUPAC Name2-[(2,4-dichlorophenoxy)methyl]-1-[4-(4-methoxyphenoxy)butyl]benzimidazole
SMILESCOc1ccc(OCCCCn2c(COc3ccc(Cl)cc3Cl)nc3ccccc32)cc1
InChIInChI=1S/C25H24Cl2N2O3/c1-30-19-9-11-20(12-10-19)31-15-5-4-14-29-23-7-3-2-6-22(23)28-25(29)17-32-24-13-8-18(26)16-21(24)27/h2-3,6-13,16H,4-5,14-15,17H2,1H3
InChIKeyOGGFBJHYYWQIHO-UHFFFAOYSA-N
XLogP6.79
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.38
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(2,4-dichlorophenoxy)methyl]-1-(4-phenoxybutyl)benzimidazole
CID 16997233
1-[3-(4-chlorophenoxy)propyl]-2-[(2,4-dichlorophenoxy)methyl]benzimidazole
CID 16997224
1-[3-(4-tert-butylphenoxy)propyl]-2-[(2,4-dichlorophenoxy)methyl]benzimidazole
CID 16997229
2-[(2-chlorophenoxy)methyl]-1-[3-(4-methoxyphenoxy)propyl]benzimidazole
CID 16997380
2-[(2,4-dichlorophenoxy)methyl]-1-[3-(3,4-dimethylphenoxy)propyl]benzimidazole
CID 16997226
2-[(2,4-dichlorophenoxy)methyl]-1-[3-(3-methylphenoxy)propyl]benzimidazole
CID 16997219
2-[(2,4-dichlorophenoxy)methyl]-1-(2-naphthalen-2-yloxyethyl)benzimidazole
CID 3107569
1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-[(2,4-dichlorophenoxy)methyl]benzimidazole
CID 16997200
1-[4-(4-chloro-3,5-dimethylphenoxy)butyl]-2-[(4-methoxyphenoxy)methyl]benzimidazole
CID 16998558
2-[(2-methoxyphenoxy)methyl]-1-(4-phenoxybutyl)benzimidazole
CID 16997524
1-[4-(4-chlorophenoxy)butyl]-2-[(4-propan-2-ylphenoxy)methyl]benzimidazole
CID 16998683
1-[3-(4-chlorophenoxy)propyl]-2-[(2-methylphenoxy)methyl]benzimidazole
CID 16997763

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenoxy)methyl]-1-[4-(4-methoxyphenoxy)butyl]benzimidazole?
The IUPAC name of 2-[(2,4-dichlorophenoxy)methyl]-1-[4-(4-methoxyphenoxy)butyl]benzimidazole (CID 16997248) is 2-[(2,4-dichlorophenoxy)methyl]-1-[4-(4-methoxyphenoxy)butyl]benzimidazole.
What is the SMILES notation for 2-[(2,4-dichlorophenoxy)methyl]-1-[4-(4-methoxyphenoxy)butyl]benzimidazole?
The canonical SMILES for 2-[(2,4-dichlorophenoxy)methyl]-1-[4-(4-methoxyphenoxy)butyl]benzimidazole is COc1ccc(OCCCCn2c(COc3ccc(Cl)cc3Cl)nc3ccccc32)cc1.
What is the InChIKey of 2-[(2,4-dichlorophenoxy)methyl]-1-[4-(4-methoxyphenoxy)butyl]benzimidazole?
The InChIKey is OGGFBJHYYWQIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2N2O3/c1-30-19-9-11-20(12-10-19)31-15-5-4-14-29-23-7-3-2-6-22(23)28-25(29)17-32-24-13-8-18(26)16-21(24)27/h2-3,6-13,16H,4-5,14-15,17H2,1H3.
What are the key properties of 2-[(2,4-dichlorophenoxy)methyl]-1-[4-(4-methoxyphenoxy)butyl]benzimidazole?
2-[(2,4-dichlorophenoxy)methyl]-1-[4-(4-methoxyphenoxy)butyl]benzimidazole has a molecular weight of 471.38 g/mol, XLogP of 6.79, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenoxy)methyl]-1-[4-(4-methoxyphenoxy)butyl]benzimidazole is sourced from PubChem (CID 16997248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).