5-chloro-2-[(2,4-dichlorophenoxy)methyl]-1-methylbenzimidazole

C15H11Cl3N2O — CID 46310357

IUPAC5-chloro-2-[(2,4-dichlorophenoxy)methyl]-1-methylbenzimidazole
SMILESCn1c(COc2ccc(Cl)cc2Cl)nc2cc(Cl)ccc21
InChIInChI=1S/C15H11Cl3N2O/c1-20-13-4-2-10(17)7-12(13)19-15(20)8-21-14-5-3-9(16)6-11(14)18/h2-7H,8H2,1H3
InChIKeyQMCUTFYQLNNBNQ-UHFFFAOYSA-N
MW341.63 g/mol
LogP5.11
Rot. Bonds3

About 5-chloro-2-[(2,4-dichlorophenoxy)methyl]-1-methylbenzimidazole

5-chloro-2-[(2,4-dichlorophenoxy)methyl]-1-methylbenzimidazole (PubChem CID 46310357) has the molecular formula C15H11Cl3N2O and a molecular weight of 341.63 g/mol. Its IUPAC name is 5-chloro-2-[(2,4-dichlorophenoxy)methyl]-1-methylbenzimidazole.

Molecular Properties

Compound Name5-chloro-2-[(2,4-dichlorophenoxy)methyl]-1-methylbenzimidazole
PubChem CID46310357
Molecular FormulaC15H11Cl3N2O
Molecular Weight341.63 g/mol
Exact Mass339.99
IUPAC Name5-chloro-2-[(2,4-dichlorophenoxy)methyl]-1-methylbenzimidazole
SMILESCn1c(COc2ccc(Cl)cc2Cl)nc2cc(Cl)ccc21
InChIInChI=1S/C15H11Cl3N2O/c1-20-13-4-2-10(17)7-12(13)19-15(20)8-21-14-5-3-9(16)6-11(14)18/h2-7H,8H2,1H3
InChIKeyQMCUTFYQLNNBNQ-UHFFFAOYSA-N
XLogP5.11
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.63
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-[(2,4-dichlorophenoxy)methyl]-1-methylbenzimidazole
CID 46310358
5-chloro-1-methyl-2-(phenoxymethyl)benzimidazole
CID 46310360
2-[6-chloro-2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]ethanol
CID 9013564
6-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-methylbenzimidazole
CID 46310370
2-[(2,4-dichlorophenoxy)methyl]-1-(2-methylpropyl)benzimidazole
CID 709669
2-(5-chloro-1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride
CID 71308073
1-butan-2-yl-2-[(2,4-dichlorophenoxy)methyl]-5-(trifluoromethyl)benzimidazole
CID 46309888
8-[(2,4-dichlorophenoxy)methyl]-3,7-dimethylpurine-2,6-dione
CID 47073068
5-chloro-1-methyl-2-(piperidin-4-yloxymethyl)benzimidazole
CID 55251116
1-[3-(4-chlorophenoxy)propyl]-2-[(2,4-dichlorophenoxy)methyl]benzimidazole
CID 16997224
2-[(2,4-dichlorophenoxy)methyl]-1-[4-(4-methoxyphenoxy)butyl]benzimidazole
CID 16997248
2-[(2,4-dichlorophenoxy)methyl]-1-(4-phenoxybutyl)benzimidazole
CID 16997233

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(2,4-dichlorophenoxy)methyl]-1-methylbenzimidazole?
The IUPAC name of 5-chloro-2-[(2,4-dichlorophenoxy)methyl]-1-methylbenzimidazole (CID 46310357) is 5-chloro-2-[(2,4-dichlorophenoxy)methyl]-1-methylbenzimidazole.
What is the SMILES notation for 5-chloro-2-[(2,4-dichlorophenoxy)methyl]-1-methylbenzimidazole?
The canonical SMILES for 5-chloro-2-[(2,4-dichlorophenoxy)methyl]-1-methylbenzimidazole is Cn1c(COc2ccc(Cl)cc2Cl)nc2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-2-[(2,4-dichlorophenoxy)methyl]-1-methylbenzimidazole?
The InChIKey is QMCUTFYQLNNBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl3N2O/c1-20-13-4-2-10(17)7-12(13)19-15(20)8-21-14-5-3-9(16)6-11(14)18/h2-7H,8H2,1H3.
What are the key properties of 5-chloro-2-[(2,4-dichlorophenoxy)methyl]-1-methylbenzimidazole?
5-chloro-2-[(2,4-dichlorophenoxy)methyl]-1-methylbenzimidazole has a molecular weight of 341.63 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(2,4-dichlorophenoxy)methyl]-1-methylbenzimidazole is sourced from PubChem (CID 46310357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).