2-[(4-chlorophenoxy)methyl]-1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazole

C24H23ClN2O2 — CID 16997079

IUPAC2-[(4-chlorophenoxy)methyl]-1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazole
SMILESCc1ccc(C)c(OCCn2c(COc3ccc(Cl)cc3)nc3ccccc32)c1
InChIInChI=1S/C24H23ClN2O2/c1-17-7-8-18(2)23(15-17)28-14-13-27-22-6-4-3-5-21(22)26-24(27)16-29-20-11-9-19(25)10-12-20/h3-12,15H,13-14,16H2,1-2H3
InChIKeyKDPZTAXNKHQPAH-UHFFFAOYSA-N
MW406.91 g/mol
LogP5.96
Rot. Bonds7

About 2-[(4-chlorophenoxy)methyl]-1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazole

2-[(4-chlorophenoxy)methyl]-1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazole (PubChem CID 16997079) has the molecular formula C24H23ClN2O2 and a molecular weight of 406.91 g/mol. Its IUPAC name is 2-[(4-chlorophenoxy)methyl]-1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazole.

Molecular Properties

Compound Name2-[(4-chlorophenoxy)methyl]-1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazole
PubChem CID16997079
Molecular FormulaC24H23ClN2O2
Molecular Weight406.91 g/mol
Exact Mass406.14
IUPAC Name2-[(4-chlorophenoxy)methyl]-1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazole
SMILESCc1ccc(C)c(OCCn2c(COc3ccc(Cl)cc3)nc3ccccc32)c1
InChIInChI=1S/C24H23ClN2O2/c1-17-7-8-18(2)23(15-17)28-14-13-27-22-6-4-3-5-21(22)26-24(27)16-29-20-11-9-19(25)10-12-20/h3-12,15H,13-14,16H2,1-2H3
InChIKeyKDPZTAXNKHQPAH-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

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Related Compounds

1-[2-(2,5-dimethylphenoxy)ethyl]-2-(naphthalen-2-yloxymethyl)benzimidazole
CID 16999241
2-[(4-chlorophenoxy)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole
CID 16997088
2-[(4-chlorophenoxy)methyl]-1-[3-(3,5-dimethylphenoxy)propyl]benzimidazole
CID 16997111
1-[3-(2,5-dimethylphenoxy)propyl]-2-[(3-methoxyphenoxy)methyl]benzimidazole
CID 16998119
1-[4-(2-chlorophenoxy)butyl]-2-[(2,5-dimethylphenoxy)methyl]benzimidazole
CID 18878209
2-[(4-chlorophenoxy)methyl]-1-(2-naphthalen-2-yloxyethyl)benzimidazole
CID 18879299
1-[3-(4-chlorophenoxy)propyl]-2-[(2-methylphenoxy)methyl]benzimidazole
CID 16997763
2-(4-chlorophenoxy)-N-[[1-[4-(2,5-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]acetamide
CID 16971175
1-[4-(4-tert-butylphenoxy)butyl]-2-[(2,5-dimethylphenoxy)methyl]benzimidazole
CID 16998033
1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-[(2,4-dichlorophenoxy)methyl]benzimidazole
CID 16997200
2-[(4-ethylphenoxy)methyl]-1-[2-(2-methylphenoxy)ethyl]benzimidazole
CID 16998345
2-[(4-chlorophenoxy)methyl]-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole
CID 16997069

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenoxy)methyl]-1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazole?
The IUPAC name of 2-[(4-chlorophenoxy)methyl]-1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazole (CID 16997079) is 2-[(4-chlorophenoxy)methyl]-1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazole.
What is the SMILES notation for 2-[(4-chlorophenoxy)methyl]-1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazole?
The canonical SMILES for 2-[(4-chlorophenoxy)methyl]-1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazole is Cc1ccc(C)c(OCCn2c(COc3ccc(Cl)cc3)nc3ccccc32)c1.
What is the InChIKey of 2-[(4-chlorophenoxy)methyl]-1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazole?
The InChIKey is KDPZTAXNKHQPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O2/c1-17-7-8-18(2)23(15-17)28-14-13-27-22-6-4-3-5-21(22)26-24(27)16-29-20-11-9-19(25)10-12-20/h3-12,15H,13-14,16H2,1-2H3.
What are the key properties of 2-[(4-chlorophenoxy)methyl]-1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazole?
2-[(4-chlorophenoxy)methyl]-1-[2-(2,5-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-[(4-chlorophenoxy)methyl]-1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazole is sourced from PubChem (CID 16997079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).