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

C17H12F2N6O2 — CID 1130343

IUPAC2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(2,4-difluorophenyl)acetamide
SMILESNc1nonc1-c1nc2ccccc2n1CC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C17H12F2N6O2/c18-9-5-6-11(10(19)7-9)21-14(26)8-25-13-4-2-1-3-12(13)22-17(25)15-16(20)24-27-23-15/h1-7H,8H2,(H2,20,24)(H,21,26)
InChIKeyJMSNVUTXNCLSSL-UHFFFAOYSA-N
MW370.32 g/mol
LogP2.59
Rot. Bonds4

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

2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(2,4-difluorophenyl)acetamide (PubChem CID 1130343) has the molecular formula C17H12F2N6O2 and a molecular weight of 370.32 g/mol. Its IUPAC name is 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(2,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(2,4-difluorophenyl)acetamide
PubChem CID1130343
Molecular FormulaC17H12F2N6O2
Molecular Weight370.32 g/mol
Exact Mass370.10
IUPAC Name2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(2,4-difluorophenyl)acetamide
SMILESNc1nonc1-c1nc2ccccc2n1CC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C17H12F2N6O2/c18-9-5-6-11(10(19)7-9)21-14(26)8-25-13-4-2-1-3-12(13)22-17(25)15-16(20)24-27-23-15/h1-7H,8H2,(H2,20,24)(H,21,26)
InChIKeyJMSNVUTXNCLSSL-UHFFFAOYSA-N
XLogP2.59
TPSA111.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.32
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide
CID 156768738
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(4-ethylphenyl)acetamide
CID 1096323
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(2-methylquinolin-6-yl)acetamide
CID 1259483
ethyl 4-[[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]amino]benzoate
CID 1017543
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(3-bromo-4-nitrophenyl)acetamide
CID 156768743
N-(2-aminoethyl)-2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetamide;2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(2-hydroxyethyl)acetamide;methane
CID 159795425
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(1-oxo-3H-2-benzofuran-5-yl)acetamide
CID 2947726
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-methylacetamide;methanamine;methyl 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetate
CID 159638026
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[4-(piperidine-1-carbonyl)phenyl]acetamide
CID 5298813
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[(4-ethylphenyl)methylideneamino]acetamide
CID 4890167
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]acetamide
CID 135547291
N-(2,4-difluorophenyl)-2-(2,5-dimethylpyrrol-1-yl)acetamide
CID 110688890

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(2,4-difluorophenyl)acetamide?
The IUPAC name of 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(2,4-difluorophenyl)acetamide (CID 1130343) is 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(2,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(2,4-difluorophenyl)acetamide?
The canonical SMILES for 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(2,4-difluorophenyl)acetamide is Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(2,4-difluorophenyl)acetamide?
The InChIKey is JMSNVUTXNCLSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N6O2/c18-9-5-6-11(10(19)7-9)21-14(26)8-25-13-4-2-1-3-12(13)22-17(25)15-16(20)24-27-23-15/h1-7H,8H2,(H2,20,24)(H,21,26).
What are the key properties of 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(2,4-difluorophenyl)acetamide?
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(2,4-difluorophenyl)acetamide has a molecular weight of 370.32 g/mol, XLogP of 2.59, 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-(2,4-difluorophenyl)acetamide is sourced from PubChem (CID 1130343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).