5-[1-tert-butyl-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzimidazol-5-yl]pyrimidin-2-amine

C24H23N7O — CID 58542039

IUPAC5-[1-tert-butyl-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzimidazol-5-yl]pyrimidin-2-amine
SMILESCc1nnc(-c2ccccc2-c2nc3cc(-c4cnc(N)nc4)ccc3n2C(C)(C)C)o1
InChIInChI=1S/C24H23N7O/c1-14-29-30-22(32-14)18-8-6-5-7-17(18)21-28-19-11-15(16-12-26-23(25)27-13-16)9-10-20(19)31(21)24(2,3)4/h5-13H,1-4H3,(H2,25,26,27)
InChIKeyKLQMIEGHGCGYFB-UHFFFAOYSA-N
MW425.50 g/mol
LogP4.86
Rot. Bonds3

About 5-[1-tert-butyl-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzimidazol-5-yl]pyrimidin-2-amine

5-[1-tert-butyl-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzimidazol-5-yl]pyrimidin-2-amine (PubChem CID 58542039) has the molecular formula C24H23N7O and a molecular weight of 425.50 g/mol. Its IUPAC name is 5-[1-tert-butyl-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzimidazol-5-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[1-tert-butyl-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzimidazol-5-yl]pyrimidin-2-amine
PubChem CID58542039
Molecular FormulaC24H23N7O
Molecular Weight425.50 g/mol
Exact Mass425.20
IUPAC Name5-[1-tert-butyl-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzimidazol-5-yl]pyrimidin-2-amine
SMILESCc1nnc(-c2ccccc2-c2nc3cc(-c4cnc(N)nc4)ccc3n2C(C)(C)C)o1
InChIInChI=1S/C24H23N7O/c1-14-29-30-22(32-14)18-8-6-5-7-17(18)21-28-19-11-15(16-12-26-23(25)27-13-16)9-10-20(19)31(21)24(2,3)4/h5-13H,1-4H3,(H2,25,26,27)
InChIKeyKLQMIEGHGCGYFB-UHFFFAOYSA-N
XLogP4.86
TPSA108.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[1-tert-butyl-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzimidazol-5-yl]pyrimidin-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-[1-tert-butyl-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzimidazol-5-yl]pyrimidin-2-amine?
The IUPAC name of 5-[1-tert-butyl-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzimidazol-5-yl]pyrimidin-2-amine (CID 58542039) is 5-[1-tert-butyl-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzimidazol-5-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-[1-tert-butyl-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzimidazol-5-yl]pyrimidin-2-amine?
The canonical SMILES for 5-[1-tert-butyl-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzimidazol-5-yl]pyrimidin-2-amine is Cc1nnc(-c2ccccc2-c2nc3cc(-c4cnc(N)nc4)ccc3n2C(C)(C)C)o1.
What is the InChIKey of 5-[1-tert-butyl-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzimidazol-5-yl]pyrimidin-2-amine?
The InChIKey is KLQMIEGHGCGYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O/c1-14-29-30-22(32-14)18-8-6-5-7-17(18)21-28-19-11-15(16-12-26-23(25)27-13-16)9-10-20(19)31(21)24(2,3)4/h5-13H,1-4H3,(H2,25,26,27).
What are the key properties of 5-[1-tert-butyl-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzimidazol-5-yl]pyrimidin-2-amine?
5-[1-tert-butyl-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzimidazol-5-yl]pyrimidin-2-amine has a molecular weight of 425.50 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-tert-butyl-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzimidazol-5-yl]pyrimidin-2-amine is sourced from PubChem (CID 58542039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).