2-tert-butyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-5-amine

C15H19N5O — CID 106408046

IUPAC2-tert-butyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-5-amine
SMILESCC(C)(C)c1nc2cc(N)ccc2n1CCc1ncno1
InChIInChI=1S/C15H19N5O/c1-15(2,3)14-19-11-8-10(16)4-5-12(11)20(14)7-6-13-17-9-18-21-13/h4-5,8-9H,6-7,16H2,1-3H3
InChIKeyOFGWWHQSUSLNKT-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.54
Rot. Bonds3

About 2-tert-butyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-5-amine

2-tert-butyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-5-amine (PubChem CID 106408046) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-tert-butyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-5-amine.

Molecular Properties

Compound Name2-tert-butyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-5-amine
PubChem CID106408046
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name2-tert-butyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-5-amine
SMILESCC(C)(C)c1nc2cc(N)ccc2n1CCc1ncno1
InChIInChI=1S/C15H19N5O/c1-15(2,3)14-19-11-8-10(16)4-5-12(11)20(14)7-6-13-17-9-18-21-13/h4-5,8-9H,6-7,16H2,1-3H3
InChIKeyOFGWWHQSUSLNKT-UHFFFAOYSA-N
XLogP2.54
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(5-amino-2-tert-butylbenzimidazol-1-yl)ethanol
CID 62493612
2-tert-butyl-1-(3-methylsulfanylpropyl)benzimidazol-5-amine
CID 63957853
2-tert-butyl-1-(5-methylhexyl)benzimidazol-5-amine
CID 115326894
2-tert-butyl-1-[2-[ethyl(methyl)amino]ethyl]benzimidazol-5-amine
CID 62640970
2-tert-butyl-1-(3-ethoxypropyl)benzimidazol-5-amine
CID 62508319
2-tert-butyl-1-(1,2,4-oxadiazol-3-ylmethyl)benzimidazol-5-amine
CID 106408031
5-[2-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]ethyl]-1,2,4-oxadiazole
CID 106407112
2-tert-butyl-1-(pyridin-2-ylmethyl)benzimidazol-5-amine
CID 62507178
2-tert-butyl-1-(thiophen-2-ylmethyl)benzimidazol-5-amine
CID 62508021
6-chloro-5-fluoro-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine
CID 106406198
2-tert-butyl-1-(cyclopentylmethyl)benzimidazol-5-amine
CID 62506214
5-[2-[2-(2-chloroethyl)benzimidazol-1-yl]ethyl]-1,2,4-oxadiazole
CID 106407134

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-5-amine?
The IUPAC name of 2-tert-butyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-5-amine (CID 106408046) is 2-tert-butyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-5-amine.
What is the SMILES notation for 2-tert-butyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-5-amine?
The canonical SMILES for 2-tert-butyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-5-amine is CC(C)(C)c1nc2cc(N)ccc2n1CCc1ncno1.
What is the InChIKey of 2-tert-butyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-5-amine?
The InChIKey is OFGWWHQSUSLNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-15(2,3)14-19-11-8-10(16)4-5-12(11)20(14)7-6-13-17-9-18-21-13/h4-5,8-9H,6-7,16H2,1-3H3.
What are the key properties of 2-tert-butyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-5-amine?
2-tert-butyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-5-amine has a molecular weight of 285.35 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-5-amine is sourced from PubChem (CID 106408046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).