N-[3-(benzimidazol-1-yl)propyl]-2-(2-fluorophenoxy)acetamide

C18H18FN3O2 — CID 51214747

IUPACN-[3-(benzimidazol-1-yl)propyl]-2-(2-fluorophenoxy)acetamide
SMILESO=C(COc1ccccc1F)NCCCn1cnc2ccccc21
InChIInChI=1S/C18H18FN3O2/c19-14-6-1-4-9-17(14)24-12-18(23)20-10-5-11-22-13-21-15-7-2-3-8-16(15)22/h1-4,6-9,13H,5,10-12H2,(H,20,23)
InChIKeyUROFIZHTEXYCAA-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.76
Rot. Bonds7

About N-[3-(benzimidazol-1-yl)propyl]-2-(2-fluorophenoxy)acetamide

N-[3-(benzimidazol-1-yl)propyl]-2-(2-fluorophenoxy)acetamide (PubChem CID 51214747) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is N-[3-(benzimidazol-1-yl)propyl]-2-(2-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[3-(benzimidazol-1-yl)propyl]-2-(2-fluorophenoxy)acetamide
PubChem CID51214747
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC NameN-[3-(benzimidazol-1-yl)propyl]-2-(2-fluorophenoxy)acetamide
SMILESO=C(COc1ccccc1F)NCCCn1cnc2ccccc21
InChIInChI=1S/C18H18FN3O2/c19-14-6-1-4-9-17(14)24-12-18(23)20-10-5-11-22-13-21-15-7-2-3-8-16(15)22/h1-4,6-9,13H,5,10-12H2,(H,20,23)
InChIKeyUROFIZHTEXYCAA-UHFFFAOYSA-N
XLogP2.76
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-(2-fluorophenoxy)acetamide
CID 49047342
N-[3-(benzimidazol-1-yl)propyl]-2,6-difluorobenzamide
CID 86912487
N-[3-(benzimidazol-1-yl)propyl]-2-propan-2-yloxyacetamide
CID 47412640
2-(2-fluorophenoxy)-N-(3-pyrrol-1-ylpropyl)acetamide
CID 90500606
N-[3-(benzimidazol-1-yl)propyl]-4-chlorobutanamide
CID 63308679
N-[3-(benzimidazol-1-yl)propyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 51221936
N-[3-(benzimidazol-1-yl)propyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119834602
N-[2-(benzimidazol-1-yl)ethyl]-2-(4-fluorophenyl)acetamide
CID 47929228
3-(benzimidazol-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 36842954
N-[3-(benzimidazol-1-yl)propyl]-2,2-dimethylpropanamide
CID 47127030
N-[3-(benzimidazol-1-yl)propyl]-2-(4-iodopyrazol-1-yl)acetamide
CID 91956165
2-(2-fluorophenoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119392768

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzimidazol-1-yl)propyl]-2-(2-fluorophenoxy)acetamide?
The IUPAC name of N-[3-(benzimidazol-1-yl)propyl]-2-(2-fluorophenoxy)acetamide (CID 51214747) is N-[3-(benzimidazol-1-yl)propyl]-2-(2-fluorophenoxy)acetamide.
What is the SMILES notation for N-[3-(benzimidazol-1-yl)propyl]-2-(2-fluorophenoxy)acetamide?
The canonical SMILES for N-[3-(benzimidazol-1-yl)propyl]-2-(2-fluorophenoxy)acetamide is O=C(COc1ccccc1F)NCCCn1cnc2ccccc21.
What is the InChIKey of N-[3-(benzimidazol-1-yl)propyl]-2-(2-fluorophenoxy)acetamide?
The InChIKey is UROFIZHTEXYCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c19-14-6-1-4-9-17(14)24-12-18(23)20-10-5-11-22-13-21-15-7-2-3-8-16(15)22/h1-4,6-9,13H,5,10-12H2,(H,20,23).
What are the key properties of N-[3-(benzimidazol-1-yl)propyl]-2-(2-fluorophenoxy)acetamide?
N-[3-(benzimidazol-1-yl)propyl]-2-(2-fluorophenoxy)acetamide has a molecular weight of 327.36 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzimidazol-1-yl)propyl]-2-(2-fluorophenoxy)acetamide is sourced from PubChem (CID 51214747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).