(2S,6R)-2,6-ditert-butyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole

C13H25N3 — CID 102170749

IUPAC(2S,6R)-2,6-ditert-butyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole
SMILESCC(C)(C)[C@@H]1CN2C[C@H](C(C)(C)C)NC2=N1
InChIInChI=1S/C13H25N3/c1-12(2,3)9-7-16-8-10(13(4,5)6)15-11(16)14-9/h9-10H,7-8H2,1-6H3,(H,14,15)/t9-,10+
InChIKeyNHPAGFYCHIPMCC-AOOOYVTPSA-N
MW223.36 g/mol
LogP2.09
Rot. Bonds

About (2S,6R)-2,6-ditert-butyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole

(2S,6R)-2,6-ditert-butyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole (PubChem CID 102170749) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is (2S,6R)-2,6-ditert-butyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole.

Molecular Properties

Compound Name(2S,6R)-2,6-ditert-butyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole
PubChem CID102170749
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name(2S,6R)-2,6-ditert-butyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole
SMILESCC(C)(C)[C@@H]1CN2C[C@H](C(C)(C)C)NC2=N1
InChIInChI=1S/C13H25N3/c1-12(2,3)9-7-16-8-10(13(4,5)6)15-11(16)14-9/h9-10H,7-8H2,1-6H3,(H,14,15)/t9-,10+
InChIKeyNHPAGFYCHIPMCC-AOOOYVTPSA-N
XLogP2.09
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S,6R)-2,6-ditert-butyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole 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 (2S,6R)-2,6-ditert-butyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole?
The IUPAC name of (2S,6R)-2,6-ditert-butyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole (CID 102170749) is (2S,6R)-2,6-ditert-butyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole.
What is the SMILES notation for (2S,6R)-2,6-ditert-butyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole?
The canonical SMILES for (2S,6R)-2,6-ditert-butyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole is CC(C)(C)[C@@H]1CN2C[C@H](C(C)(C)C)NC2=N1.
What is the InChIKey of (2S,6R)-2,6-ditert-butyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole?
The InChIKey is NHPAGFYCHIPMCC-AOOOYVTPSA-N. The full InChI is InChI=1S/C13H25N3/c1-12(2,3)9-7-16-8-10(13(4,5)6)15-11(16)14-9/h9-10H,7-8H2,1-6H3,(H,14,15)/t9-,10+.
What are the key properties of (2S,6R)-2,6-ditert-butyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole?
(2S,6R)-2,6-ditert-butyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole has a molecular weight of 223.36 g/mol, XLogP of 2.09, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2,6-ditert-butyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole is sourced from PubChem (CID 102170749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).