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

C17H16FN3O — CID 47929228

IUPACN-[2-(benzimidazol-1-yl)ethyl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)NCCn1cnc2ccccc21
InChIInChI=1S/C17H16FN3O/c18-14-7-5-13(6-8-14)11-17(22)19-9-10-21-12-20-15-3-1-2-4-16(15)21/h1-8,12H,9-11H2,(H,19,22)
InChIKeyCZCYAVRPWSAWKU-UHFFFAOYSA-N
MW297.33 g/mol
LogP2.53
Rot. Bonds5

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

N-[2-(benzimidazol-1-yl)ethyl]-2-(4-fluorophenyl)acetamide (PubChem CID 47929228) has the molecular formula C17H16FN3O and a molecular weight of 297.33 g/mol. Its IUPAC name is N-[2-(benzimidazol-1-yl)ethyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(benzimidazol-1-yl)ethyl]-2-(4-fluorophenyl)acetamide
PubChem CID47929228
Molecular FormulaC17H16FN3O
Molecular Weight297.33 g/mol
Exact Mass297.13
IUPAC NameN-[2-(benzimidazol-1-yl)ethyl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)NCCn1cnc2ccccc21
InChIInChI=1S/C17H16FN3O/c18-14-7-5-13(6-8-14)11-17(22)19-9-10-21-12-20-15-3-1-2-4-16(15)21/h1-8,12H,9-11H2,(H,19,22)
InChIKeyCZCYAVRPWSAWKU-UHFFFAOYSA-N
XLogP2.53
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(benzimidazol-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 36842954
N-[2-(benzimidazol-1-yl)ethyl]butanamide
CID 47404733
3-[3-(benzimidazol-1-yl)propyl]-1-[(4-fluorophenyl)methyl]-1-methylurea
CID 51274415
N-[3-(benzimidazol-1-yl)propyl]-2,6-difluorobenzamide
CID 86912487
N-[2-(benzimidazol-1-yl)ethyl]thiophene-2-carboxamide
CID 51091236
N-[3-(benzimidazol-1-yl)propyl]-2-(2-fluorophenoxy)acetamide
CID 51214747
3-(benzimidazol-1-yl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]propanamide
CID 78889836
3-(benzimidazol-1-yl)-N-(2-methoxyethyl)propanamide
CID 36838359
3-(benzimidazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-methylpropanamide
CID 134012463
4-(benzimidazol-1-yl)-1-(4-fluorophenyl)butan-1-one
CID 43218269
N-[2-(benzimidazol-1-yl)ethyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 47069211
N-[3-(benzimidazol-1-yl)propyl]-4-chlorobutanamide
CID 63308679

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzimidazol-1-yl)ethyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[2-(benzimidazol-1-yl)ethyl]-2-(4-fluorophenyl)acetamide (CID 47929228) is N-[2-(benzimidazol-1-yl)ethyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-(benzimidazol-1-yl)ethyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[2-(benzimidazol-1-yl)ethyl]-2-(4-fluorophenyl)acetamide is O=C(Cc1ccc(F)cc1)NCCn1cnc2ccccc21.
What is the InChIKey of N-[2-(benzimidazol-1-yl)ethyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is CZCYAVRPWSAWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O/c18-14-7-5-13(6-8-14)11-17(22)19-9-10-21-12-20-15-3-1-2-4-16(15)21/h1-8,12H,9-11H2,(H,19,22).
What are the key properties of N-[2-(benzimidazol-1-yl)ethyl]-2-(4-fluorophenyl)acetamide?
N-[2-(benzimidazol-1-yl)ethyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 297.33 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzimidazol-1-yl)ethyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 47929228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).