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

C19H12F6N6O2 — CID 156768738

IUPAC2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide
SMILESNc1nonc1-c1nc2ccccc2n1CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C19H12F6N6O2/c20-18(21,22)9-5-10(19(23,24)25)7-11(6-9)27-14(32)8-31-13-4-2-1-3-12(13)28-17(31)15-16(26)30-33-29-15/h1-7H,8H2,(H2,26,30)(H,27,32)
InChIKeyFXQJHNAVAJWPNX-UHFFFAOYSA-N
MW470.33 g/mol
LogP4.34
Rot. Bonds4

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

2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide (PubChem CID 156768738) has the molecular formula C19H12F6N6O2 and a molecular weight of 470.33 g/mol. Its IUPAC name is 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide
PubChem CID156768738
Molecular FormulaC19H12F6N6O2
Molecular Weight470.33 g/mol
Exact Mass470.09
IUPAC Name2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide
SMILESNc1nonc1-c1nc2ccccc2n1CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C19H12F6N6O2/c20-18(21,22)9-5-10(19(23,24)25)7-11(6-9)27-14(32)8-31-13-4-2-1-3-12(13)28-17(31)15-16(26)30-33-29-15/h1-7H,8H2,(H2,26,30)(H,27,32)
InChIKeyFXQJHNAVAJWPNX-UHFFFAOYSA-N
XLogP4.34
TPSA111.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.33
LogP ≤ 54.34
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-[3,5-bis(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide (CID 156768738) is 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide is Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide?
The InChIKey is FXQJHNAVAJWPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F6N6O2/c20-18(21,22)9-5-10(19(23,24)25)7-11(6-9)27-14(32)8-31-13-4-2-1-3-12(13)28-17(31)15-16(26)30-33-29-15/h1-7H,8H2,(H2,26,30)(H,27,32).
What are the key properties of 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide?
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide has a molecular weight of 470.33 g/mol, XLogP of 4.34, 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-[3,5-bis(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 156768738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).