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

C21H16FN3O2 — CID 40704455

IUPACN-[4-(1H-benzimidazol-2-yl)phenyl]-2-(2-fluorophenoxy)acetamide
SMILESO=C(COc1ccccc1F)Nc1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C21H16FN3O2/c22-16-5-1-4-8-19(16)27-13-20(26)23-15-11-9-14(10-12-15)21-24-17-6-2-3-7-18(17)25-21/h1-12H,13H2,(H,23,26)(H,24,25)
InChIKeyRCFZJGODSSXASQ-UHFFFAOYSA-N
MW361.38 g/mol
LogP4.39
Rot. Bonds5

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

N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(2-fluorophenoxy)acetamide (PubChem CID 40704455) has the molecular formula C21H16FN3O2 and a molecular weight of 361.38 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(2-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)phenyl]-2-(2-fluorophenoxy)acetamide
PubChem CID40704455
Molecular FormulaC21H16FN3O2
Molecular Weight361.38 g/mol
Exact Mass361.12
IUPAC NameN-[4-(1H-benzimidazol-2-yl)phenyl]-2-(2-fluorophenoxy)acetamide
SMILESO=C(COc1ccccc1F)Nc1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C21H16FN3O2/c22-16-5-1-4-8-19(16)27-13-20(26)23-15-11-9-14(10-12-15)21-24-17-6-2-3-7-18(17)25-21/h1-12H,13H2,(H,23,26)(H,24,25)
InChIKeyRCFZJGODSSXASQ-UHFFFAOYSA-N
XLogP4.39
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide
CID 1369927
N-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-(2-chlorophenoxy)acetamide
CID 17296439
N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-phenoxyacetamide
CID 55726124
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-butan-2-ylphenoxy)acetamide
CID 3653920
4-[4-(1H-benzimidazol-2-yl)anilino]-4-oxobutanoic acid
CID 767937
2-(2-fluorophenoxy)-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide
CID 110720240
4-[4-(1H-benzimidazol-2-yl)anilino]-4-oxobutanoate
CID 3680939
methyl 5-[4-(1H-benzimidazol-2-yl)anilino]-5-oxopentanoate
CID 118717470
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-ethoxyphenyl)acetamide
CID 40692441
2-[4-(1H-benzimidazol-2-yl)-2-methoxyphenoxy]-N-(2-methoxyphenyl)acetamide
CID 168554153
N-[4-(1H-benzimidazol-2-yl)phenyl]octadecanamide
CID 101392453
2-[2-[4-(6-fluoro-1H-benzimidazol-2-yl)anilino]-2-oxoethoxy]acetic acid
CID 118717495

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(2-fluorophenoxy)acetamide?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(2-fluorophenoxy)acetamide (CID 40704455) is N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(2-fluorophenoxy)acetamide.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(2-fluorophenoxy)acetamide?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(2-fluorophenoxy)acetamide is O=C(COc1ccccc1F)Nc1ccc(-c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(2-fluorophenoxy)acetamide?
The InChIKey is RCFZJGODSSXASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O2/c22-16-5-1-4-8-19(16)27-13-20(26)23-15-11-9-14(10-12-15)21-24-17-6-2-3-7-18(17)25-21/h1-12H,13H2,(H,23,26)(H,24,25).
What are the key properties of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(2-fluorophenoxy)acetamide?
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(2-fluorophenoxy)acetamide has a molecular weight of 361.38 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(2-fluorophenoxy)acetamide is sourced from PubChem (CID 40704455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).