N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-(4-fluorophenyl)acetamide

C23H20FN3O — CID 46290552

IUPACN-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1ccc(CCc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C23H20FN3O/c24-18-10-5-17(6-11-18)15-23(28)25-19-12-7-16(8-13-19)9-14-22-26-20-3-1-2-4-21(20)27-22/h1-8,10-13H,9,14-15H2,(H,25,28)(H,26,27)
InChIKeyPIQUBEAVFVNWOA-UHFFFAOYSA-N
MW373.43 g/mol
LogP4.67
Rot. Bonds6

About N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-(4-fluorophenyl)acetamide

N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-(4-fluorophenyl)acetamide (PubChem CID 46290552) has the molecular formula C23H20FN3O and a molecular weight of 373.43 g/mol. Its IUPAC name is N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-(4-fluorophenyl)acetamide
PubChem CID46290552
Molecular FormulaC23H20FN3O
Molecular Weight373.43 g/mol
Exact Mass373.16
IUPAC NameN-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1ccc(CCc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C23H20FN3O/c24-18-10-5-17(6-11-18)15-23(28)25-19-12-7-16(8-13-19)9-14-22-26-20-3-1-2-4-21(20)27-22/h1-8,10-13H,9,14-15H2,(H,25,28)(H,26,27)
InChIKeyPIQUBEAVFVNWOA-UHFFFAOYSA-N
XLogP4.67
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-(4-fluorophenyl)acetamide (CID 46290552) is N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-(4-fluorophenyl)acetamide is O=C(Cc1ccc(F)cc1)Nc1ccc(CCc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is PIQUBEAVFVNWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O/c24-18-10-5-17(6-11-18)15-23(28)25-19-12-7-16(8-13-19)9-14-22-26-20-3-1-2-4-21(20)27-22/h1-8,10-13H,9,14-15H2,(H,25,28)(H,26,27).
What are the key properties of N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-(4-fluorophenyl)acetamide?
N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 373.43 g/mol, XLogP of 4.67, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 46290552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).