1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-[(2-chlorophenoxy)methyl]benzimidazole

C24H22Cl2N2O2 — CID 16997345

IUPAC1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-[(2-chlorophenoxy)methyl]benzimidazole
SMILESCc1cc(OCCn2c(COc3ccccc3Cl)nc3ccccc32)cc(C)c1Cl
InChIInChI=1S/C24H22Cl2N2O2/c1-16-13-18(14-17(2)24(16)26)29-12-11-28-21-9-5-4-8-20(21)27-23(28)15-30-22-10-6-3-7-19(22)25/h3-10,13-14H,11-12,15H2,1-2H3
InChIKeyATIRQBSKDZJJRN-UHFFFAOYSA-N
MW441.36 g/mol
LogP6.62
Rot. Bonds7

About 1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-[(2-chlorophenoxy)methyl]benzimidazole

1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-[(2-chlorophenoxy)methyl]benzimidazole (PubChem CID 16997345) has the molecular formula C24H22Cl2N2O2 and a molecular weight of 441.36 g/mol. Its IUPAC name is 1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-[(2-chlorophenoxy)methyl]benzimidazole.

Molecular Properties

Compound Name1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-[(2-chlorophenoxy)methyl]benzimidazole
PubChem CID16997345
Molecular FormulaC24H22Cl2N2O2
Molecular Weight441.36 g/mol
Exact Mass440.11
IUPAC Name1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-[(2-chlorophenoxy)methyl]benzimidazole
SMILESCc1cc(OCCn2c(COc3ccccc3Cl)nc3ccccc32)cc(C)c1Cl
InChIInChI=1S/C24H22Cl2N2O2/c1-16-13-18(14-17(2)24(16)26)29-12-11-28-21-9-5-4-8-20(21)27-23(28)15-30-22-10-6-3-7-19(22)25/h3-10,13-14H,11-12,15H2,1-2H3
InChIKeyATIRQBSKDZJJRN-UHFFFAOYSA-N
XLogP6.62
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.36
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-chlorophenoxy)methyl]-1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazole
CID 16997332
1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-[(2,4-dichlorophenoxy)methyl]benzimidazole
CID 16997200
1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-methylbenzimidazole
CID 16995223
2-[(2-chlorophenoxy)methyl]-1-[3-(4-methoxyphenoxy)propyl]benzimidazole
CID 16997380
1-[4-(4-chloro-3,5-dimethylphenoxy)butyl]-2-[(4-methoxyphenoxy)methyl]benzimidazole
CID 16998558
2-[(2-chlorophenoxy)methyl]-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole
CID 16997336
1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(naphthalen-2-yloxymethyl)benzimidazole
CID 16999253
1-[4-(2-chlorophenoxy)butyl]-2-[(2,5-dimethylphenoxy)methyl]benzimidazole
CID 18878209
2-[(2-chlorophenoxy)methyl]-1-nonylbenzimidazole
CID 16997296
1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-[(3-methylphenoxy)methyl]benzimidazole
CID 16997884
1-[3-(3,5-dimethylphenoxy)propyl]-2-[(2-methylphenoxy)methyl]benzimidazole
CID 16997760
2-[(2,4-dichlorophenoxy)methyl]-1-[3-(3,4-dimethylphenoxy)propyl]benzimidazole
CID 16997226

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-[(2-chlorophenoxy)methyl]benzimidazole?
The IUPAC name of 1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-[(2-chlorophenoxy)methyl]benzimidazole (CID 16997345) is 1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-[(2-chlorophenoxy)methyl]benzimidazole.
What is the SMILES notation for 1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-[(2-chlorophenoxy)methyl]benzimidazole?
The canonical SMILES for 1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-[(2-chlorophenoxy)methyl]benzimidazole is Cc1cc(OCCn2c(COc3ccccc3Cl)nc3ccccc32)cc(C)c1Cl.
What is the InChIKey of 1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-[(2-chlorophenoxy)methyl]benzimidazole?
The InChIKey is ATIRQBSKDZJJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N2O2/c1-16-13-18(14-17(2)24(16)26)29-12-11-28-21-9-5-4-8-20(21)27-23(28)15-30-22-10-6-3-7-19(22)25/h3-10,13-14H,11-12,15H2,1-2H3.
What are the key properties of 1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-[(2-chlorophenoxy)methyl]benzimidazole?
1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-[(2-chlorophenoxy)methyl]benzimidazole has a molecular weight of 441.36 g/mol, XLogP of 6.62, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-[(2-chlorophenoxy)methyl]benzimidazole is sourced from PubChem (CID 16997345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).