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

C24H23ClN2O3 — CID 16997380

IUPAC2-[(2-chlorophenoxy)methyl]-1-[3-(4-methoxyphenoxy)propyl]benzimidazole
SMILESCOc1ccc(OCCCn2c(COc3ccccc3Cl)nc3ccccc32)cc1
InChIInChI=1S/C24H23ClN2O3/c1-28-18-11-13-19(14-12-18)29-16-6-15-27-22-9-4-3-8-21(22)26-24(27)17-30-23-10-5-2-7-20(23)25/h2-5,7-14H,6,15-17H2,1H3
InChIKeyQUXVRUBTMFHGNG-UHFFFAOYSA-N
MW422.91 g/mol
LogP5.75
Rot. Bonds9

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

2-[(2-chlorophenoxy)methyl]-1-[3-(4-methoxyphenoxy)propyl]benzimidazole (PubChem CID 16997380) has the molecular formula C24H23ClN2O3 and a molecular weight of 422.91 g/mol. Its IUPAC name is 2-[(2-chlorophenoxy)methyl]-1-[3-(4-methoxyphenoxy)propyl]benzimidazole.

Molecular Properties

Compound Name2-[(2-chlorophenoxy)methyl]-1-[3-(4-methoxyphenoxy)propyl]benzimidazole
PubChem CID16997380
Molecular FormulaC24H23ClN2O3
Molecular Weight422.91 g/mol
Exact Mass422.14
IUPAC Name2-[(2-chlorophenoxy)methyl]-1-[3-(4-methoxyphenoxy)propyl]benzimidazole
SMILESCOc1ccc(OCCCn2c(COc3ccccc3Cl)nc3ccccc32)cc1
InChIInChI=1S/C24H23ClN2O3/c1-28-18-11-13-19(14-12-18)29-16-6-15-27-22-9-4-3-8-21(22)26-24(27)17-30-23-10-5-2-7-20(23)25/h2-5,7-14H,6,15-17H2,1H3
InChIKeyQUXVRUBTMFHGNG-UHFFFAOYSA-N
XLogP5.75
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.91
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(2,4-dichlorophenoxy)methyl]-1-[4-(4-methoxyphenoxy)butyl]benzimidazole
CID 16997248
2-[(2-chlorophenoxy)methyl]-1-nonylbenzimidazole
CID 16997296
1-[3-(4-chlorophenoxy)propyl]-2-[(2-methylphenoxy)methyl]benzimidazole
CID 16997763
1-[3-(4-chlorophenoxy)propyl]-2-[(2,4-dichlorophenoxy)methyl]benzimidazole
CID 16997224
2-[(2-methoxyphenoxy)methyl]-1-(4-phenoxybutyl)benzimidazole
CID 16997524
1-[3-(4-tert-butylphenoxy)propyl]-2-[(2,4-dichlorophenoxy)methyl]benzimidazole
CID 16997229
1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-[(2-chlorophenoxy)methyl]benzimidazole
CID 16997345
1-[4-(4-chloro-3,5-dimethylphenoxy)butyl]-2-[(4-methoxyphenoxy)methyl]benzimidazole
CID 16998558
2-[(2,4-dichlorophenoxy)methyl]-1-[3-(3,4-dimethylphenoxy)propyl]benzimidazole
CID 16997226
2-[(2,4-dichlorophenoxy)methyl]-1-(4-phenoxybutyl)benzimidazole
CID 16997233
2-(naphthalen-1-yloxymethyl)-1-(3-phenoxypropyl)benzimidazole
CID 3472678
1-[4-(2-chlorophenoxy)butyl]-2-[(2,5-dimethylphenoxy)methyl]benzimidazole
CID 18878209

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenoxy)methyl]-1-[3-(4-methoxyphenoxy)propyl]benzimidazole?
The IUPAC name of 2-[(2-chlorophenoxy)methyl]-1-[3-(4-methoxyphenoxy)propyl]benzimidazole (CID 16997380) is 2-[(2-chlorophenoxy)methyl]-1-[3-(4-methoxyphenoxy)propyl]benzimidazole.
What is the SMILES notation for 2-[(2-chlorophenoxy)methyl]-1-[3-(4-methoxyphenoxy)propyl]benzimidazole?
The canonical SMILES for 2-[(2-chlorophenoxy)methyl]-1-[3-(4-methoxyphenoxy)propyl]benzimidazole is COc1ccc(OCCCn2c(COc3ccccc3Cl)nc3ccccc32)cc1.
What is the InChIKey of 2-[(2-chlorophenoxy)methyl]-1-[3-(4-methoxyphenoxy)propyl]benzimidazole?
The InChIKey is QUXVRUBTMFHGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O3/c1-28-18-11-13-19(14-12-18)29-16-6-15-27-22-9-4-3-8-21(22)26-24(27)17-30-23-10-5-2-7-20(23)25/h2-5,7-14H,6,15-17H2,1H3.
What are the key properties of 2-[(2-chlorophenoxy)methyl]-1-[3-(4-methoxyphenoxy)propyl]benzimidazole?
2-[(2-chlorophenoxy)methyl]-1-[3-(4-methoxyphenoxy)propyl]benzimidazole has a molecular weight of 422.91 g/mol, XLogP of 5.75, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenoxy)methyl]-1-[3-(4-methoxyphenoxy)propyl]benzimidazole is sourced from PubChem (CID 16997380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).