N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-(2,5-dimethylphenoxy)acetamide

C26H25ClFN3O2 — CID 16978626

IUPACN-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-(2,5-dimethylphenoxy)acetamide
SMILESCc1ccc(C)c(OCC(=O)NCCc2nc3ccccc3n2Cc2c(F)cccc2Cl)c1
InChIInChI=1S/C26H25ClFN3O2/c1-17-10-11-18(2)24(14-17)33-16-26(32)29-13-12-25-30-22-8-3-4-9-23(22)31(25)15-19-20(27)6-5-7-21(19)28/h3-11,14H,12-13,15-16H2,1-2H3,(H,29,32)
InChIKeyICCJWGWHRZDEAA-UHFFFAOYSA-N
MW465.96 g/mol
LogP5.23
Rot. Bonds8

About N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-(2,5-dimethylphenoxy)acetamide

N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-(2,5-dimethylphenoxy)acetamide (PubChem CID 16978626) has the molecular formula C26H25ClFN3O2 and a molecular weight of 465.96 g/mol. Its IUPAC name is N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-(2,5-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-(2,5-dimethylphenoxy)acetamide
PubChem CID16978626
Molecular FormulaC26H25ClFN3O2
Molecular Weight465.96 g/mol
Exact Mass465.16
IUPAC NameN-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-(2,5-dimethylphenoxy)acetamide
SMILESCc1ccc(C)c(OCC(=O)NCCc2nc3ccccc3n2Cc2c(F)cccc2Cl)c1
InChIInChI=1S/C26H25ClFN3O2/c1-17-10-11-18(2)24(14-17)33-16-26(32)29-13-12-25-30-22-8-3-4-9-23(22)31(25)15-19-20(27)6-5-7-21(19)28/h3-11,14H,12-13,15-16H2,1-2H3,(H,29,32)
InChIKeyICCJWGWHRZDEAA-UHFFFAOYSA-N
XLogP5.23
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.96
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
CID 16976532
2-(2,5-dimethylphenoxy)-N-[2-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
CID 16978639
2-chloro-N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976055
N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 16979580
2-(2,5-dimethylphenoxy)-N-[5-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide
CID 16993020
N-[2-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]ethyl]-2-(2,5-dimethylphenoxy)acetamide
CID 16978720
N-[2-(1-butylbenzimidazol-2-yl)ethyl]-2-(2,5-dimethylphenoxy)acetamide
CID 16978605
2-(2,5-dimethylphenoxy)-N-[2-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide
CID 16978686
2-(2,5-dimethylphenoxy)-N-[3-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]propyl]acetamide
CID 16986572
propan-2-yl 2-[2-[2-[[2-(2,5-dimethylphenoxy)acetyl]amino]ethyl]benzimidazol-1-yl]acetate
CID 16978750
2-(2,5-dimethylphenoxy)-N-[2-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide
CID 16978656
N-[3-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]-2,4-dimethylbenzamide
CID 16982530

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-(2,5-dimethylphenoxy)acetamide?
The IUPAC name of N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-(2,5-dimethylphenoxy)acetamide (CID 16978626) is N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-(2,5-dimethylphenoxy)acetamide.
What is the SMILES notation for N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-(2,5-dimethylphenoxy)acetamide?
The canonical SMILES for N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-(2,5-dimethylphenoxy)acetamide is Cc1ccc(C)c(OCC(=O)NCCc2nc3ccccc3n2Cc2c(F)cccc2Cl)c1.
What is the InChIKey of N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-(2,5-dimethylphenoxy)acetamide?
The InChIKey is ICCJWGWHRZDEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClFN3O2/c1-17-10-11-18(2)24(14-17)33-16-26(32)29-13-12-25-30-22-8-3-4-9-23(22)31(25)15-19-20(27)6-5-7-21(19)28/h3-11,14H,12-13,15-16H2,1-2H3,(H,29,32).
What are the key properties of N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-(2,5-dimethylphenoxy)acetamide?
N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-(2,5-dimethylphenoxy)acetamide has a molecular weight of 465.96 g/mol, XLogP of 5.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-(2,5-dimethylphenoxy)acetamide is sourced from PubChem (CID 16978626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).