5-[2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]phenyl]-1,3,4-oxadiazol-2-amine

C23H22N8O — CID 58542063

IUPAC5-[2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]phenyl]-1,3,4-oxadiazol-2-amine
SMILESCC(C)(C)n1c(-c2ccccc2-c2nnc(N)o2)nc2cc(-c3cnc(N)nc3)ccc21
InChIInChI=1S/C23H22N8O/c1-23(2,3)31-18-9-8-13(14-11-26-21(24)27-12-14)10-17(18)28-19(31)15-6-4-5-7-16(15)20-29-30-22(25)32-20/h4-12H,1-3H3,(H2,25,30)(H2,24,26,27)
InChIKeyJYMJPFRHGVMPHP-UHFFFAOYSA-N
MW426.48 g/mol
LogP4.13
Rot. Bonds3

About 5-[2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]phenyl]-1,3,4-oxadiazol-2-amine

5-[2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]phenyl]-1,3,4-oxadiazol-2-amine (PubChem CID 58542063) has the molecular formula C23H22N8O and a molecular weight of 426.48 g/mol. Its IUPAC name is 5-[2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]phenyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]phenyl]-1,3,4-oxadiazol-2-amine
PubChem CID58542063
Molecular FormulaC23H22N8O
Molecular Weight426.48 g/mol
Exact Mass426.19
IUPAC Name5-[2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]phenyl]-1,3,4-oxadiazol-2-amine
SMILESCC(C)(C)n1c(-c2ccccc2-c2nnc(N)o2)nc2cc(-c3cnc(N)nc3)ccc21
InChIInChI=1S/C23H22N8O/c1-23(2,3)31-18-9-8-13(14-11-26-21(24)27-12-14)10-17(18)28-19(31)15-6-4-5-7-16(15)20-29-30-22(25)32-20/h4-12H,1-3H3,(H2,25,30)(H2,24,26,27)
InChIKeyJYMJPFRHGVMPHP-UHFFFAOYSA-N
XLogP4.13
TPSA134.56 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-[2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]phenyl]-1,3,4-oxadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]phenyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]phenyl]-1,3,4-oxadiazol-2-amine (CID 58542063) is 5-[2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]phenyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]phenyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]phenyl]-1,3,4-oxadiazol-2-amine is CC(C)(C)n1c(-c2ccccc2-c2nnc(N)o2)nc2cc(-c3cnc(N)nc3)ccc21.
What is the InChIKey of 5-[2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]phenyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is JYMJPFRHGVMPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N8O/c1-23(2,3)31-18-9-8-13(14-11-26-21(24)27-12-14)10-17(18)28-19(31)15-6-4-5-7-16(15)20-29-30-22(25)32-20/h4-12H,1-3H3,(H2,25,30)(H2,24,26,27).
What are the key properties of 5-[2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]phenyl]-1,3,4-oxadiazol-2-amine?
5-[2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]phenyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 426.48 g/mol, XLogP of 4.13, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]phenyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 58542063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).