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

C18H18Cl2N2O — CID 709669

IUPAC2-[(2,4-dichlorophenoxy)methyl]-1-(2-methylpropyl)benzimidazole
SMILESCC(C)Cn1c(COc2ccc(Cl)cc2Cl)nc2ccccc21
InChIInChI=1S/C18H18Cl2N2O/c1-12(2)10-22-16-6-4-3-5-15(16)21-18(22)11-23-17-8-7-13(19)9-14(17)20/h3-9,12H,10-11H2,1-2H3
InChIKeyJJJCILQTYPGSED-UHFFFAOYSA-N
MW349.26 g/mol
LogP5.58
Rot. Bonds5

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

2-[(2,4-dichlorophenoxy)methyl]-1-(2-methylpropyl)benzimidazole (PubChem CID 709669) has the molecular formula C18H18Cl2N2O and a molecular weight of 349.26 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenoxy)methyl]-1-(2-methylpropyl)benzimidazole.

Molecular Properties

Compound Name2-[(2,4-dichlorophenoxy)methyl]-1-(2-methylpropyl)benzimidazole
PubChem CID709669
Molecular FormulaC18H18Cl2N2O
Molecular Weight349.26 g/mol
Exact Mass348.08
IUPAC Name2-[(2,4-dichlorophenoxy)methyl]-1-(2-methylpropyl)benzimidazole
SMILESCC(C)Cn1c(COc2ccc(Cl)cc2Cl)nc2ccccc21
InChIInChI=1S/C18H18Cl2N2O/c1-12(2)10-22-16-6-4-3-5-15(16)21-18(22)11-23-17-8-7-13(19)9-14(17)20/h3-9,12H,10-11H2,1-2H3
InChIKeyJJJCILQTYPGSED-UHFFFAOYSA-N
XLogP5.58
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.26
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]-3-(2-methoxyphenoxy)propan-2-ol
CID 156620639
1-[2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]-3-(3,5-dimethylphenoxy)propan-2-ol
CID 156620630
1-(2,4-dichlorophenoxy)-3-[2-[(2,6-dimethylphenoxy)methyl]benzimidazol-1-yl]propan-2-ol;hydrochloride
CID 172933944
1-[3-(4-chlorophenoxy)propyl]-2-[(2,4-dichlorophenoxy)methyl]benzimidazole
CID 16997224
2-[(2,4-dimethylphenoxy)methyl]-1-(2-methylpropyl)benzimidazole
CID 46310807
2-[(2,4-dichlorophenoxy)methyl]-1-(4-phenoxybutyl)benzimidazole
CID 16997233
1-(2-methylpropyl)-2-(naphthalen-1-yloxymethyl)benzimidazole
CID 962244
2-[(2,4-dichlorophenoxy)methyl]-1-[4-(4-methoxyphenoxy)butyl]benzimidazole
CID 16997248
2-[2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]-N,N-diethylacetamide
CID 16997253
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-[3-(4-tert-butylphenoxy)propyl]-2-[(2,4-dichlorophenoxy)methyl]benzimidazole
CID 16997229

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenoxy)methyl]-1-(2-methylpropyl)benzimidazole?
The IUPAC name of 2-[(2,4-dichlorophenoxy)methyl]-1-(2-methylpropyl)benzimidazole (CID 709669) is 2-[(2,4-dichlorophenoxy)methyl]-1-(2-methylpropyl)benzimidazole.
What is the SMILES notation for 2-[(2,4-dichlorophenoxy)methyl]-1-(2-methylpropyl)benzimidazole?
The canonical SMILES for 2-[(2,4-dichlorophenoxy)methyl]-1-(2-methylpropyl)benzimidazole is CC(C)Cn1c(COc2ccc(Cl)cc2Cl)nc2ccccc21.
What is the InChIKey of 2-[(2,4-dichlorophenoxy)methyl]-1-(2-methylpropyl)benzimidazole?
The InChIKey is JJJCILQTYPGSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O/c1-12(2)10-22-16-6-4-3-5-15(16)21-18(22)11-23-17-8-7-13(19)9-14(17)20/h3-9,12H,10-11H2,1-2H3.
What are the key properties of 2-[(2,4-dichlorophenoxy)methyl]-1-(2-methylpropyl)benzimidazole?
2-[(2,4-dichlorophenoxy)methyl]-1-(2-methylpropyl)benzimidazole has a molecular weight of 349.26 g/mol, XLogP of 5.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenoxy)methyl]-1-(2-methylpropyl)benzimidazole is sourced from PubChem (CID 709669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).