2-[1-(4-chlorophenoxy)ethyl]-1-[2-(3-methoxyphenoxy)ethyl]benzimidazole

C24H23ClN2O3 — CID 16998977

IUPAC2-[1-(4-chlorophenoxy)ethyl]-1-[2-(3-methoxyphenoxy)ethyl]benzimidazole
SMILESCOc1cccc(OCCn2c(C(C)Oc3ccc(Cl)cc3)nc3ccccc32)c1
InChIInChI=1S/C24H23ClN2O3/c1-17(30-19-12-10-18(25)11-13-19)24-26-22-8-3-4-9-23(22)27(24)14-15-29-21-7-5-6-20(16-21)28-2/h3-13,16-17H,14-15H2,1-2H3
InChIKeyNKXKYVSKLVTWDH-UHFFFAOYSA-N
MW422.91 g/mol
LogP5.92
Rot. Bonds8

About 2-[1-(4-chlorophenoxy)ethyl]-1-[2-(3-methoxyphenoxy)ethyl]benzimidazole

2-[1-(4-chlorophenoxy)ethyl]-1-[2-(3-methoxyphenoxy)ethyl]benzimidazole (PubChem CID 16998977) has the molecular formula C24H23ClN2O3 and a molecular weight of 422.91 g/mol. Its IUPAC name is 2-[1-(4-chlorophenoxy)ethyl]-1-[2-(3-methoxyphenoxy)ethyl]benzimidazole.

Molecular Properties

Compound Name2-[1-(4-chlorophenoxy)ethyl]-1-[2-(3-methoxyphenoxy)ethyl]benzimidazole
PubChem CID16998977
Molecular FormulaC24H23ClN2O3
Molecular Weight422.91 g/mol
Exact Mass422.14
IUPAC Name2-[1-(4-chlorophenoxy)ethyl]-1-[2-(3-methoxyphenoxy)ethyl]benzimidazole
SMILESCOc1cccc(OCCn2c(C(C)Oc3ccc(Cl)cc3)nc3ccccc32)c1
InChIInChI=1S/C24H23ClN2O3/c1-17(30-19-12-10-18(25)11-13-19)24-26-22-8-3-4-9-23(22)27(24)14-15-29-21-7-5-6-20(16-21)28-2/h3-13,16-17H,14-15H2,1-2H3
InChIKeyNKXKYVSKLVTWDH-UHFFFAOYSA-N
XLogP5.92
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.91
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[1-(4-chlorophenoxy)ethyl]-1-[2-(3-methoxyphenoxy)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-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethanol
CID 16995356
2-[(1R)-1-phenoxyethyl]-1-(2-phenoxyethyl)benzimidazole
CID 7574593
2-[1-(4-chlorophenoxy)ethyl]-1-[2-(2-chlorophenoxy)ethyl]benzimidazole
CID 16998965
2-[1-(4-chlorophenoxy)ethyl]-1-[3-(3,4-dimethylphenoxy)propyl]benzimidazole
CID 16998999
2-[1-(4-chlorophenoxy)ethyl]-1-(2-ethoxyethyl)benzimidazole
CID 16999033
1-[2-(4-chlorophenoxy)ethyl]-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole
CID 18811218
1-[2-(3,5-dimethylphenoxy)ethyl]-2-(1-phenoxyethyl)benzimidazole
CID 16998835
2-[1-(4-chlorophenoxy)ethyl]-1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazole
CID 16998964
[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]-phenylmethanol
CID 16995132
1-[2-(3-methoxyphenoxy)ethyl]-2-[(1S)-1-piperidin-1-ylethyl]benzimidazole
CID 96571175
2-[1-(4-chlorophenoxy)ethyl]-1-(3-naphthalen-1-yloxypropyl)benzimidazole
CID 16999005
N-[1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
CID 16969373

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenoxy)ethyl]-1-[2-(3-methoxyphenoxy)ethyl]benzimidazole?
The IUPAC name of 2-[1-(4-chlorophenoxy)ethyl]-1-[2-(3-methoxyphenoxy)ethyl]benzimidazole (CID 16998977) is 2-[1-(4-chlorophenoxy)ethyl]-1-[2-(3-methoxyphenoxy)ethyl]benzimidazole.
What is the SMILES notation for 2-[1-(4-chlorophenoxy)ethyl]-1-[2-(3-methoxyphenoxy)ethyl]benzimidazole?
The canonical SMILES for 2-[1-(4-chlorophenoxy)ethyl]-1-[2-(3-methoxyphenoxy)ethyl]benzimidazole is COc1cccc(OCCn2c(C(C)Oc3ccc(Cl)cc3)nc3ccccc32)c1.
What is the InChIKey of 2-[1-(4-chlorophenoxy)ethyl]-1-[2-(3-methoxyphenoxy)ethyl]benzimidazole?
The InChIKey is NKXKYVSKLVTWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O3/c1-17(30-19-12-10-18(25)11-13-19)24-26-22-8-3-4-9-23(22)27(24)14-15-29-21-7-5-6-20(16-21)28-2/h3-13,16-17H,14-15H2,1-2H3.
What are the key properties of 2-[1-(4-chlorophenoxy)ethyl]-1-[2-(3-methoxyphenoxy)ethyl]benzimidazole?
2-[1-(4-chlorophenoxy)ethyl]-1-[2-(3-methoxyphenoxy)ethyl]benzimidazole has a molecular weight of 422.91 g/mol, XLogP of 5.92, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenoxy)ethyl]-1-[2-(3-methoxyphenoxy)ethyl]benzimidazole is sourced from PubChem (CID 16998977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).