4-(5-amino-1-cyclobutylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine

C13H14N6O — CID 44622840

IUPAC4-(5-amino-1-cyclobutylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine
SMILESNc1ccc2c(c1)nc(-c1nonc1N)n2C1CCC1
InChIInChI=1S/C13H14N6O/c14-7-4-5-10-9(6-7)16-13(11-12(15)18-20-17-11)19(10)8-2-1-3-8/h4-6,8H,1-3,14H2,(H2,15,18)
InChIKeyKKSLZAWDUQRHLJ-UHFFFAOYSA-N
MW270.30 g/mol
LogP1.98
Rot. Bonds2

About 4-(5-amino-1-cyclobutylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine

4-(5-amino-1-cyclobutylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine (PubChem CID 44622840) has the molecular formula C13H14N6O and a molecular weight of 270.30 g/mol. Its IUPAC name is 4-(5-amino-1-cyclobutylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-(5-amino-1-cyclobutylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine
PubChem CID44622840
Molecular FormulaC13H14N6O
Molecular Weight270.30 g/mol
Exact Mass270.12
IUPAC Name4-(5-amino-1-cyclobutylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine
SMILESNc1ccc2c(c1)nc(-c1nonc1N)n2C1CCC1
InChIInChI=1S/C13H14N6O/c14-7-4-5-10-9(6-7)16-13(11-12(15)18-20-17-11)19(10)8-2-1-3-8/h4-6,8H,1-3,14H2,(H2,15,18)
InChIKeyKKSLZAWDUQRHLJ-UHFFFAOYSA-N
XLogP1.98
TPSA108.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-1-cyclobutylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-(5-amino-1-cyclobutylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine (CID 44622840) is 4-(5-amino-1-cyclobutylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-(5-amino-1-cyclobutylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-(5-amino-1-cyclobutylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine is Nc1ccc2c(c1)nc(-c1nonc1N)n2C1CCC1.
What is the InChIKey of 4-(5-amino-1-cyclobutylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine?
The InChIKey is KKSLZAWDUQRHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O/c14-7-4-5-10-9(6-7)16-13(11-12(15)18-20-17-11)19(10)8-2-1-3-8/h4-6,8H,1-3,14H2,(H2,15,18).
What are the key properties of 4-(5-amino-1-cyclobutylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine?
4-(5-amino-1-cyclobutylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine has a molecular weight of 270.30 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-1-cyclobutylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 44622840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).