2-[2-(2,4-dichlorophenyl)benzimidazol-1-yl]-N-(3-fluorophenyl)acetamide

C21H14Cl2FN3O — CID 17033179

IUPAC2-[2-(2,4-dichlorophenyl)benzimidazol-1-yl]-N-(3-fluorophenyl)acetamide
SMILESO=C(Cn1c(-c2ccc(Cl)cc2Cl)nc2ccccc21)Nc1cccc(F)c1
InChIInChI=1S/C21H14Cl2FN3O/c22-13-8-9-16(17(23)10-13)21-26-18-6-1-2-7-19(18)27(21)12-20(28)25-15-5-3-4-14(24)11-15/h1-11H,12H2,(H,25,28)
InChIKeyPOVBXUFCHRYCIR-UHFFFAOYSA-N
MW414.27 g/mol
LogP5.79
Rot. Bonds4

About 2-[2-(2,4-dichlorophenyl)benzimidazol-1-yl]-N-(3-fluorophenyl)acetamide

2-[2-(2,4-dichlorophenyl)benzimidazol-1-yl]-N-(3-fluorophenyl)acetamide (PubChem CID 17033179) has the molecular formula C21H14Cl2FN3O and a molecular weight of 414.27 g/mol. Its IUPAC name is 2-[2-(2,4-dichlorophenyl)benzimidazol-1-yl]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(2,4-dichlorophenyl)benzimidazol-1-yl]-N-(3-fluorophenyl)acetamide
PubChem CID17033179
Molecular FormulaC21H14Cl2FN3O
Molecular Weight414.27 g/mol
Exact Mass413.05
IUPAC Name2-[2-(2,4-dichlorophenyl)benzimidazol-1-yl]-N-(3-fluorophenyl)acetamide
SMILESO=C(Cn1c(-c2ccc(Cl)cc2Cl)nc2ccccc21)Nc1cccc(F)c1
InChIInChI=1S/C21H14Cl2FN3O/c22-13-8-9-16(17(23)10-13)21-26-18-6-1-2-7-19(18)27(21)12-20(28)25-15-5-3-4-14(24)11-15/h1-11H,12H2,(H,25,28)
InChIKeyPOVBXUFCHRYCIR-UHFFFAOYSA-N
XLogP5.79
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.27
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-2-[2-(2,4-dichlorophenyl)benzimidazol-1-yl]acetamide
CID 17033158
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-(3-chlorophenyl)acetamide
CID 84571223
N-(4-tert-butylphenyl)-2-[2-(2-chlorophenyl)benzimidazol-1-yl]acetamide
CID 5252722
N-[[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029315
N-[2-[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]propanamide
CID 17030281
N-(3-chlorophenyl)-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide
CID 112787812
2-(2,4-dichlorophenyl)-1-(naphthalen-1-ylmethyl)benzimidazole
CID 16987710
N-(4-fluorophenyl)-2-(2-phenylbenzimidazol-1-yl)acetamide
CID 17032697
2-[2-(2,4-dichlorophenyl)benzimidazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 16987815
N-[[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]propanamide
CID 17028922
N-[[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-methylbenzamide
CID 17029460
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(2-fluorophenyl)acetamide
CID 17033124

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dichlorophenyl)benzimidazol-1-yl]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[2-(2,4-dichlorophenyl)benzimidazol-1-yl]-N-(3-fluorophenyl)acetamide (CID 17033179) is 2-[2-(2,4-dichlorophenyl)benzimidazol-1-yl]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[2-(2,4-dichlorophenyl)benzimidazol-1-yl]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[2-(2,4-dichlorophenyl)benzimidazol-1-yl]-N-(3-fluorophenyl)acetamide is O=C(Cn1c(-c2ccc(Cl)cc2Cl)nc2ccccc21)Nc1cccc(F)c1.
What is the InChIKey of 2-[2-(2,4-dichlorophenyl)benzimidazol-1-yl]-N-(3-fluorophenyl)acetamide?
The InChIKey is POVBXUFCHRYCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2FN3O/c22-13-8-9-16(17(23)10-13)21-26-18-6-1-2-7-19(18)27(21)12-20(28)25-15-5-3-4-14(24)11-15/h1-11H,12H2,(H,25,28).
What are the key properties of 2-[2-(2,4-dichlorophenyl)benzimidazol-1-yl]-N-(3-fluorophenyl)acetamide?
2-[2-(2,4-dichlorophenyl)benzimidazol-1-yl]-N-(3-fluorophenyl)acetamide has a molecular weight of 414.27 g/mol, XLogP of 5.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dichlorophenyl)benzimidazol-1-yl]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 17033179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).