2-(4-fluorophenoxy)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide

C17H16FN3O2 — CID 110712039

IUPAC2-(4-fluorophenoxy)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide
SMILESCn1c(CNC(=O)COc2ccc(F)cc2)nc2ccccc21
InChIInChI=1S/C17H16FN3O2/c1-21-15-5-3-2-4-14(15)20-16(21)10-19-17(22)11-23-13-8-6-12(18)7-9-13/h2-9H,10-11H2,1H3,(H,19,22)
InChIKeyWLAPQLWVAFWRPU-UHFFFAOYSA-N
MW313.33 g/mol
LogP2.41
Rot. Bonds5

About 2-(4-fluorophenoxy)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide

2-(4-fluorophenoxy)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide (PubChem CID 110712039) has the molecular formula C17H16FN3O2 and a molecular weight of 313.33 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide
PubChem CID110712039
Molecular FormulaC17H16FN3O2
Molecular Weight313.33 g/mol
Exact Mass313.12
IUPAC Name2-(4-fluorophenoxy)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide
SMILESCn1c(CNC(=O)COc2ccc(F)cc2)nc2ccccc21
InChIInChI=1S/C17H16FN3O2/c1-21-15-5-3-2-4-14(15)20-16(21)10-19-17(22)11-23-13-8-6-12(18)7-9-13/h2-9H,10-11H2,1H3,(H,19,22)
InChIKeyWLAPQLWVAFWRPU-UHFFFAOYSA-N
XLogP2.41
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-N-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]acetamide
CID 16971102
2-(4-chlorophenoxy)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]acetamide
CID 16978760
N-[(1-hexadecylbenzimidazol-2-yl)methyl]-2-phenoxyacetamide
CID 16970928
2-(4-chlorophenoxy)-N-[(1-pentylbenzimidazol-2-yl)methyl]acetamide
CID 16971076
N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-(4-methylphenoxy)acetamide
CID 110712110
2-(4-chlorophenoxy)-N-[(1-octylbenzimidazol-2-yl)methyl]acetamide
CID 16971079
N-[(1-benzylbenzimidazol-2-yl)methyl]-2-phenoxyacetamide
CID 993353
2-(4-chlorophenoxy)-N-[[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]acetamide
CID 16971189
2-(4-chlorophenoxy)-N-[[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]acetamide
CID 16971124
(3R)-3-(4-fluorophenyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]butanamide
CID 95324241
2-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
CID 17007726
N-[2-(1,2-dimethylindol-3-yl)ethyl]-2-(4-fluorophenoxy)acetamide
CID 110789127

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide (CID 110712039) is 2-(4-fluorophenoxy)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide is Cn1c(CNC(=O)COc2ccc(F)cc2)nc2ccccc21.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide?
The InChIKey is WLAPQLWVAFWRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2/c1-21-15-5-3-2-4-14(15)20-16(21)10-19-17(22)11-23-13-8-6-12(18)7-9-13/h2-9H,10-11H2,1H3,(H,19,22).
What are the key properties of 2-(4-fluorophenoxy)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide?
2-(4-fluorophenoxy)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide has a molecular weight of 313.33 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide is sourced from PubChem (CID 110712039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).