N-(4-chlorophenyl)-2-[2-(4-fluorophenyl)benzimidazol-1-yl]acetamide

C21H15ClFN3O — CID 57398357

IUPACN-(4-chlorophenyl)-2-[2-(4-fluorophenyl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(-c2ccc(F)cc2)nc2ccccc21)Nc1ccc(Cl)cc1
InChIInChI=1S/C21H15ClFN3O/c22-15-7-11-17(12-8-15)24-20(27)13-26-19-4-2-1-3-18(19)25-21(26)14-5-9-16(23)10-6-14/h1-12H,13H2,(H,24,27)
InChIKeyARQWQXPRWUSIJT-UHFFFAOYSA-N
MW379.82 g/mol
LogP5.13
Rot. Bonds4

About N-(4-chlorophenyl)-2-[2-(4-fluorophenyl)benzimidazol-1-yl]acetamide

N-(4-chlorophenyl)-2-[2-(4-fluorophenyl)benzimidazol-1-yl]acetamide (PubChem CID 57398357) has the molecular formula C21H15ClFN3O and a molecular weight of 379.82 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[2-(4-fluorophenyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[2-(4-fluorophenyl)benzimidazol-1-yl]acetamide
PubChem CID57398357
Molecular FormulaC21H15ClFN3O
Molecular Weight379.82 g/mol
Exact Mass379.09
IUPAC NameN-(4-chlorophenyl)-2-[2-(4-fluorophenyl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(-c2ccc(F)cc2)nc2ccccc21)Nc1ccc(Cl)cc1
InChIInChI=1S/C21H15ClFN3O/c22-15-7-11-17(12-8-15)24-20(27)13-26-19-4-2-1-3-18(19)25-21(26)14-5-9-16(23)10-6-14/h1-12H,13H2,(H,24,27)
InChIKeyARQWQXPRWUSIJT-UHFFFAOYSA-N
XLogP5.13
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.82
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[2-(4-fluorophenyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[2-(4-fluorophenyl)benzimidazol-1-yl]acetamide (CID 57398357) is N-(4-chlorophenyl)-2-[2-(4-fluorophenyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[2-(4-fluorophenyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[2-(4-fluorophenyl)benzimidazol-1-yl]acetamide is O=C(Cn1c(-c2ccc(F)cc2)nc2ccccc21)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[2-(4-fluorophenyl)benzimidazol-1-yl]acetamide?
The InChIKey is ARQWQXPRWUSIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClFN3O/c22-15-7-11-17(12-8-15)24-20(27)13-26-19-4-2-1-3-18(19)25-21(26)14-5-9-16(23)10-6-14/h1-12H,13H2,(H,24,27).
What are the key properties of N-(4-chlorophenyl)-2-[2-(4-fluorophenyl)benzimidazol-1-yl]acetamide?
N-(4-chlorophenyl)-2-[2-(4-fluorophenyl)benzimidazol-1-yl]acetamide has a molecular weight of 379.82 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[2-(4-fluorophenyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 57398357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).