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

C24H23ClN2O2 — CID 16997332

IUPAC2-[(2-chlorophenoxy)methyl]-1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazole
SMILESCc1cccc(OCCn2c(COc3ccccc3Cl)nc3ccccc32)c1C
InChIInChI=1S/C24H23ClN2O2/c1-17-8-7-13-22(18(17)2)28-15-14-27-21-11-5-4-10-20(21)26-24(27)16-29-23-12-6-3-9-19(23)25/h3-13H,14-16H2,1-2H3
InChIKeyZMYOWTSLYTWSML-UHFFFAOYSA-N
MW406.91 g/mol
LogP5.96
Rot. Bonds7

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

2-[(2-chlorophenoxy)methyl]-1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazole (PubChem CID 16997332) has the molecular formula C24H23ClN2O2 and a molecular weight of 406.91 g/mol. Its IUPAC name is 2-[(2-chlorophenoxy)methyl]-1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazole.

Molecular Properties

Compound Name2-[(2-chlorophenoxy)methyl]-1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazole
PubChem CID16997332
Molecular FormulaC24H23ClN2O2
Molecular Weight406.91 g/mol
Exact Mass406.14
IUPAC Name2-[(2-chlorophenoxy)methyl]-1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazole
SMILESCc1cccc(OCCn2c(COc3ccccc3Cl)nc3ccccc32)c1C
InChIInChI=1S/C24H23ClN2O2/c1-17-8-7-13-22(18(17)2)28-15-14-27-21-11-5-4-10-20(21)26-24(27)16-29-23-12-6-3-9-19(23)25/h3-13H,14-16H2,1-2H3
InChIKeyZMYOWTSLYTWSML-UHFFFAOYSA-N
XLogP5.96
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.91
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(2-chlorophenoxy)methyl]-1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-[(2-chlorophenoxy)methyl]benzimidazole
CID 16997345
1-[3-(2,3-dimethylphenoxy)propyl]-2-(methoxymethyl)benzimidazole
CID 16996898
2-[(2-chlorophenoxy)methyl]-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole
CID 16997336
1-[2-(2-methoxyphenoxy)ethyl]-2-[(2-methylphenoxy)methyl]benzimidazole
CID 16997731
1-[4-(2-chlorophenoxy)butyl]-2-[(2,5-dimethylphenoxy)methyl]benzimidazole
CID 18878209
3-[2-[(2,3-dimethylphenoxy)methyl]benzimidazol-1-yl]propanoic acid
CID 82144857
2-[(2-chlorophenoxy)methyl]-1-nonylbenzimidazole
CID 16997296
1-[2-(2,3-dimethylphenoxy)ethyl]-2-phenylbenzimidazole
CID 17000504
2-[(2-chlorophenoxy)methyl]-1-[3-(4-methoxyphenoxy)propyl]benzimidazole
CID 16997380
2-[(4-chlorophenyl)methyl]-1-[4-(2,3-dimethylphenoxy)butyl]benzimidazole
CID 16995841
1-benzyl-2-[(2-chlorophenoxy)methyl]benzimidazole
CID 16997302
1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-[(2,4-dichlorophenoxy)methyl]benzimidazole
CID 16997200

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenoxy)methyl]-1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazole?
The IUPAC name of 2-[(2-chlorophenoxy)methyl]-1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazole (CID 16997332) is 2-[(2-chlorophenoxy)methyl]-1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazole.
What is the SMILES notation for 2-[(2-chlorophenoxy)methyl]-1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazole?
The canonical SMILES for 2-[(2-chlorophenoxy)methyl]-1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazole is Cc1cccc(OCCn2c(COc3ccccc3Cl)nc3ccccc32)c1C.
What is the InChIKey of 2-[(2-chlorophenoxy)methyl]-1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazole?
The InChIKey is ZMYOWTSLYTWSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O2/c1-17-8-7-13-22(18(17)2)28-15-14-27-21-11-5-4-10-20(21)26-24(27)16-29-23-12-6-3-9-19(23)25/h3-13H,14-16H2,1-2H3.
What are the key properties of 2-[(2-chlorophenoxy)methyl]-1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazole?
2-[(2-chlorophenoxy)methyl]-1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazole has a molecular weight of 406.91 g/mol, XLogP of 5.96, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenoxy)methyl]-1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazole is sourced from PubChem (CID 16997332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).