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

C16H12ClN7O2 — CID 156768764

IUPAC2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(5-chloro-3-pyridinyl)acetamide
SMILESNc1nonc1-c1nc2ccccc2n1CC(=O)Nc1cncc(Cl)c1
InChIInChI=1S/C16H12ClN7O2/c17-9-5-10(7-19-6-9)20-13(25)8-24-12-4-2-1-3-11(12)21-16(24)14-15(18)23-26-22-14/h1-7H,8H2,(H2,18,23)(H,20,25)
InChIKeyCRWBJIFCUORJDO-UHFFFAOYSA-N
MW369.77 g/mol
LogP2.36
Rot. Bonds4

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

2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(5-chloro-3-pyridinyl)acetamide (PubChem CID 156768764) has the molecular formula C16H12ClN7O2 and a molecular weight of 369.77 g/mol. Its IUPAC name is 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(5-chloro-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(5-chloro-3-pyridinyl)acetamide
PubChem CID156768764
Molecular FormulaC16H12ClN7O2
Molecular Weight369.77 g/mol
Exact Mass369.07
IUPAC Name2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(5-chloro-3-pyridinyl)acetamide
SMILESNc1nonc1-c1nc2ccccc2n1CC(=O)Nc1cncc(Cl)c1
InChIInChI=1S/C16H12ClN7O2/c17-9-5-10(7-19-6-9)20-13(25)8-24-12-4-2-1-3-11(12)21-16(24)14-15(18)23-26-22-14/h1-7H,8H2,(H2,18,23)(H,20,25)
InChIKeyCRWBJIFCUORJDO-UHFFFAOYSA-N
XLogP2.36
TPSA124.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.77
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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-(5-chloro-3-pyridinyl)acetamide?
The IUPAC name of 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(5-chloro-3-pyridinyl)acetamide (CID 156768764) is 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(5-chloro-3-pyridinyl)acetamide.
What is the SMILES notation for 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(5-chloro-3-pyridinyl)acetamide?
The canonical SMILES for 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(5-chloro-3-pyridinyl)acetamide is Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1cncc(Cl)c1.
What is the InChIKey of 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(5-chloro-3-pyridinyl)acetamide?
The InChIKey is CRWBJIFCUORJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN7O2/c17-9-5-10(7-19-6-9)20-13(25)8-24-12-4-2-1-3-11(12)21-16(24)14-15(18)23-26-22-14/h1-7H,8H2,(H2,18,23)(H,20,25).
What are the key properties of 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(5-chloro-3-pyridinyl)acetamide?
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(5-chloro-3-pyridinyl)acetamide has a molecular weight of 369.77 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 8 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-(5-chloro-3-pyridinyl)acetamide is sourced from PubChem (CID 156768764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).