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

C15H18N6O2 — CID 674413

IUPAC2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)Cn1c(-c2nonc2N)nc2ccccc21
InChIInChI=1S/C15H18N6O2/c1-15(2,3)18-11(22)8-21-10-7-5-4-6-9(10)17-14(21)12-13(16)20-23-19-12/h4-7H,8H2,1-3H3,(H2,16,20)(H,18,22)
InChIKeyDLHZNLYFGBAMAP-UHFFFAOYSA-N
MW314.35 g/mol
LogP1.58
Rot. Bonds3

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

2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-tert-butylacetamide (PubChem CID 674413) has the molecular formula C15H18N6O2 and a molecular weight of 314.35 g/mol. Its IUPAC name is 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-tert-butylacetamide
PubChem CID674413
Molecular FormulaC15H18N6O2
Molecular Weight314.35 g/mol
Exact Mass314.15
IUPAC Name2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)Cn1c(-c2nonc2N)nc2ccccc21
InChIInChI=1S/C15H18N6O2/c1-15(2,3)18-11(22)8-21-10-7-5-4-6-9(10)17-14(21)12-13(16)20-23-19-12/h4-7H,8H2,1-3H3,(H2,16,20)(H,18,22)
InChIKeyDLHZNLYFGBAMAP-UHFFFAOYSA-N
XLogP1.58
TPSA111.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.58
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-tert-butylacetamide?
The IUPAC name of 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-tert-butylacetamide (CID 674413) is 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-tert-butylacetamide.
What is the SMILES notation for 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-tert-butylacetamide?
The canonical SMILES for 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-tert-butylacetamide is CC(C)(C)NC(=O)Cn1c(-c2nonc2N)nc2ccccc21.
What is the InChIKey of 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-tert-butylacetamide?
The InChIKey is DLHZNLYFGBAMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O2/c1-15(2,3)18-11(22)8-21-10-7-5-4-6-9(10)17-14(21)12-13(16)20-23-19-12/h4-7H,8H2,1-3H3,(H2,16,20)(H,18,22).
What are the key properties of 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-tert-butylacetamide?
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-tert-butylacetamide has a molecular weight of 314.35 g/mol, XLogP of 1.58, 3 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-tert-butylacetamide is sourced from PubChem (CID 674413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).