2,3,7,7-tetramethylimidazo[1,2-a]azepine

C12H16N2 — CID 143500793

IUPAC2,3,7,7-tetramethylimidazo[1,2-a]azepine
SMILESCc1nc2n(c1C)C=CC(C)(C)C=C2
InChIInChI=1S/C12H16N2/c1-9-10(2)14-8-7-12(3,4)6-5-11(14)13-9/h5-8H,1-4H3
InChIKeyVPAQCHYCQMJJFD-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.02
Rot. Bonds

About 2,3,7,7-tetramethylimidazo[1,2-a]azepine

2,3,7,7-tetramethylimidazo[1,2-a]azepine (PubChem CID 143500793) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2,3,7,7-tetramethylimidazo[1,2-a]azepine.

Molecular Properties

Compound Name2,3,7,7-tetramethylimidazo[1,2-a]azepine
PubChem CID143500793
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name2,3,7,7-tetramethylimidazo[1,2-a]azepine
SMILESCc1nc2n(c1C)C=CC(C)(C)C=C2
InChIInChI=1S/C12H16N2/c1-9-10(2)14-8-7-12(3,4)6-5-11(14)13-9/h5-8H,1-4H3
InChIKeyVPAQCHYCQMJJFD-UHFFFAOYSA-N
XLogP3.02
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,3,7,7-tetramethylimidazo[1,2-a]azepine 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 2,3,7,7-tetramethylimidazo[1,2-a]azepine?
The IUPAC name of 2,3,7,7-tetramethylimidazo[1,2-a]azepine (CID 143500793) is 2,3,7,7-tetramethylimidazo[1,2-a]azepine.
What is the SMILES notation for 2,3,7,7-tetramethylimidazo[1,2-a]azepine?
The canonical SMILES for 2,3,7,7-tetramethylimidazo[1,2-a]azepine is Cc1nc2n(c1C)C=CC(C)(C)C=C2.
What is the InChIKey of 2,3,7,7-tetramethylimidazo[1,2-a]azepine?
The InChIKey is VPAQCHYCQMJJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-9-10(2)14-8-7-12(3,4)6-5-11(14)13-9/h5-8H,1-4H3.
What are the key properties of 2,3,7,7-tetramethylimidazo[1,2-a]azepine?
2,3,7,7-tetramethylimidazo[1,2-a]azepine has a molecular weight of 188.27 g/mol, XLogP of 3.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,7,7-tetramethylimidazo[1,2-a]azepine is sourced from PubChem (CID 143500793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).