2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(2-fluorophenyl)acetamide

C17H13FN6O2 — CID 1130351

IUPAC2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(2-fluorophenyl)acetamide
SMILESNc1nonc1-c1nc2ccccc2n1CC(=O)Nc1ccccc1F
InChIInChI=1S/C17H13FN6O2/c18-10-5-1-2-6-11(10)20-14(25)9-24-13-8-4-3-7-12(13)21-17(24)15-16(19)23-26-22-15/h1-8H,9H2,(H2,19,23)(H,20,25)
InChIKeyCMDJAJYFXCBMBU-UHFFFAOYSA-N
MW352.33 g/mol
LogP2.45
Rot. Bonds4

About 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(2-fluorophenyl)acetamide

2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(2-fluorophenyl)acetamide (PubChem CID 1130351) has the molecular formula C17H13FN6O2 and a molecular weight of 352.33 g/mol. Its IUPAC name is 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(2-fluorophenyl)acetamide
PubChem CID1130351
Molecular FormulaC17H13FN6O2
Molecular Weight352.33 g/mol
Exact Mass352.11
IUPAC Name2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(2-fluorophenyl)acetamide
SMILESNc1nonc1-c1nc2ccccc2n1CC(=O)Nc1ccccc1F
InChIInChI=1S/C17H13FN6O2/c18-10-5-1-2-6-11(10)20-14(25)9-24-13-8-4-3-7-12(13)21-17(24)15-16(19)23-26-22-15/h1-8H,9H2,(H2,19,23)(H,20,25)
InChIKeyCMDJAJYFXCBMBU-UHFFFAOYSA-N
XLogP2.45
TPSA111.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.33
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(2-fluorophenyl)acetamide (CID 1130351) is 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(2-fluorophenyl)acetamide is Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1ccccc1F.
What is the InChIKey of 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(2-fluorophenyl)acetamide?
The InChIKey is CMDJAJYFXCBMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN6O2/c18-10-5-1-2-6-11(10)20-14(25)9-24-13-8-4-3-7-12(13)21-17(24)15-16(19)23-26-22-15/h1-8H,9H2,(H2,19,23)(H,20,25).
What are the key properties of 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(2-fluorophenyl)acetamide?
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(2-fluorophenyl)acetamide has a molecular weight of 352.33 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 1130351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).