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

C26H20FN3O2 — CID 17032265

IUPACN-(4-fluorophenyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(COc2cccc3ccccc23)nc2ccccc21)Nc1ccc(F)cc1
InChIInChI=1S/C26H20FN3O2/c27-19-12-14-20(15-13-19)28-26(31)16-30-23-10-4-3-9-22(23)29-25(30)17-32-24-11-5-7-18-6-1-2-8-21(18)24/h1-15H,16-17H2,(H,28,31)
InChIKeyWLNJKRZZNVZNCW-UHFFFAOYSA-N
MW425.46 g/mol
LogP5.55
Rot. Bonds6

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

N-(4-fluorophenyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide (PubChem CID 17032265) has the molecular formula C26H20FN3O2 and a molecular weight of 425.46 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide
PubChem CID17032265
Molecular FormulaC26H20FN3O2
Molecular Weight425.46 g/mol
Exact Mass425.15
IUPAC NameN-(4-fluorophenyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(COc2cccc3ccccc23)nc2ccccc21)Nc1ccc(F)cc1
InChIInChI=1S/C26H20FN3O2/c27-19-12-14-20(15-13-19)28-26(31)16-30-23-10-4-3-9-22(23)29-25(30)17-32-24-11-5-7-18-6-1-2-8-21(18)24/h1-15H,16-17H2,(H,28,31)
InChIKeyWLNJKRZZNVZNCW-UHFFFAOYSA-N
XLogP5.55
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.46
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide (CID 17032265) is N-(4-fluorophenyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide is O=C(Cn1c(COc2cccc3ccccc23)nc2ccccc21)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide?
The InChIKey is WLNJKRZZNVZNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN3O2/c27-19-12-14-20(15-13-19)28-26(31)16-30-23-10-4-3-9-22(23)29-25(30)17-32-24-11-5-7-18-6-1-2-8-21(18)24/h1-15H,16-17H2,(H,28,31).
What are the key properties of N-(4-fluorophenyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide?
N-(4-fluorophenyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide has a molecular weight of 425.46 g/mol, XLogP of 5.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 17032265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).