N-[2-(1H-benzimidazol-2-yl)phenyl]-4-(4-fluorophenoxy)butanamide

C23H20FN3O2 — CID 78843524

IUPACN-[2-(1H-benzimidazol-2-yl)phenyl]-4-(4-fluorophenoxy)butanamide
SMILESO=C(CCCOc1ccc(F)cc1)Nc1ccccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C23H20FN3O2/c24-16-11-13-17(14-12-16)29-15-5-10-22(28)25-19-7-2-1-6-18(19)23-26-20-8-3-4-9-21(20)27-23/h1-4,6-9,11-14H,5,10,15H2,(H,25,28)(H,26,27)
InChIKeyYFOKEJSYJDIODT-UHFFFAOYSA-N
MW389.43 g/mol
LogP5.17
Rot. Bonds7

About N-[2-(1H-benzimidazol-2-yl)phenyl]-4-(4-fluorophenoxy)butanamide

N-[2-(1H-benzimidazol-2-yl)phenyl]-4-(4-fluorophenoxy)butanamide (PubChem CID 78843524) has the molecular formula C23H20FN3O2 and a molecular weight of 389.43 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)phenyl]-4-(4-fluorophenoxy)butanamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)phenyl]-4-(4-fluorophenoxy)butanamide
PubChem CID78843524
Molecular FormulaC23H20FN3O2
Molecular Weight389.43 g/mol
Exact Mass389.15
IUPAC NameN-[2-(1H-benzimidazol-2-yl)phenyl]-4-(4-fluorophenoxy)butanamide
SMILESO=C(CCCOc1ccc(F)cc1)Nc1ccccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C23H20FN3O2/c24-16-11-13-17(14-12-16)29-15-5-10-22(28)25-19-7-2-1-6-18(19)23-26-20-8-3-4-9-21(20)27-23/h1-4,6-9,11-14H,5,10,15H2,(H,25,28)(H,26,27)
InChIKeyYFOKEJSYJDIODT-UHFFFAOYSA-N
XLogP5.17
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.43
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-fluorophenoxy)-N-(2-methylphenyl)butanamide
CID 86919949
N-[2-(1H-benzimidazol-2-yl)phenyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 86997603
3-(benzenesulfonyl)-N-[2-(1H-benzimidazol-2-yl)phenyl]propanamide
CID 7150618
N-[2-(1H-benzimidazol-2-yl)phenyl]acetamide
CID 5137262
N-[2-(1H-benzimidazol-2-yl)phenyl]-4-(4-methylphenyl)sulfonylbutanamide
CID 18585805
N-[2-(1H-benzimidazol-2-yl)phenyl]-4-butoxybenzenesulfonamide
CID 3797349
4-(4-acetylphenoxy)-N-(1H-benzimidazol-2-yl)butanamide
CID 2678988
4-(4-fluorophenoxy)-N-phenylbutanamide
CID 60723715
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 60546527
3-(4-fluorophenoxy)-N-(2-fluorophenyl)propanamide
CID 38765188
N-(2,3-dichlorophenyl)-4-(4-fluorophenoxy)butanamide
CID 46534875
N-[2-(1H-benzimidazol-2-yl)phenyl]-2-pyridin-4-ylsulfanylacetamide
CID 86917491

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)phenyl]-4-(4-fluorophenoxy)butanamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)phenyl]-4-(4-fluorophenoxy)butanamide (CID 78843524) is N-[2-(1H-benzimidazol-2-yl)phenyl]-4-(4-fluorophenoxy)butanamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)phenyl]-4-(4-fluorophenoxy)butanamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)phenyl]-4-(4-fluorophenoxy)butanamide is O=C(CCCOc1ccc(F)cc1)Nc1ccccc1-c1nc2ccccc2[nH]1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)phenyl]-4-(4-fluorophenoxy)butanamide?
The InChIKey is YFOKEJSYJDIODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O2/c24-16-11-13-17(14-12-16)29-15-5-10-22(28)25-19-7-2-1-6-18(19)23-26-20-8-3-4-9-21(20)27-23/h1-4,6-9,11-14H,5,10,15H2,(H,25,28)(H,26,27).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)phenyl]-4-(4-fluorophenoxy)butanamide?
N-[2-(1H-benzimidazol-2-yl)phenyl]-4-(4-fluorophenoxy)butanamide has a molecular weight of 389.43 g/mol, XLogP of 5.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)phenyl]-4-(4-fluorophenoxy)butanamide is sourced from PubChem (CID 78843524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).