2-methyl-2,4,5,6,7,8-hexahydroimidazo[4,5-d]azepine

C8H13N3 — CID 90874684

IUPAC2-methyl-2,4,5,6,7,8-hexahydroimidazo[4,5-d]azepine
SMILESCC1N=C2CCNCCC2=N1
InChIInChI=1S/C8H13N3/c1-6-10-7-2-4-9-5-3-8(7)11-6/h6,9H,2-5H2,1H3
InChIKeyJGIGSUGWCGWEFA-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.61
Rot. Bonds

About 2-methyl-2,4,5,6,7,8-hexahydroimidazo[4,5-d]azepine

2-methyl-2,4,5,6,7,8-hexahydroimidazo[4,5-d]azepine (PubChem CID 90874684) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 2-methyl-2,4,5,6,7,8-hexahydroimidazo[4,5-d]azepine.

Molecular Properties

Compound Name2-methyl-2,4,5,6,7,8-hexahydroimidazo[4,5-d]azepine
PubChem CID90874684
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name2-methyl-2,4,5,6,7,8-hexahydroimidazo[4,5-d]azepine
SMILESCC1N=C2CCNCCC2=N1
InChIInChI=1S/C8H13N3/c1-6-10-7-2-4-9-5-3-8(7)11-6/h6,9H,2-5H2,1H3
InChIKeyJGIGSUGWCGWEFA-UHFFFAOYSA-N
XLogP0.61
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-2,4,5,6,7,8-hexahydroimidazo[4,5-d]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-methyl-2,4,5,6,7,8-hexahydroimidazo[4,5-d]azepine?
The IUPAC name of 2-methyl-2,4,5,6,7,8-hexahydroimidazo[4,5-d]azepine (CID 90874684) is 2-methyl-2,4,5,6,7,8-hexahydroimidazo[4,5-d]azepine.
What is the SMILES notation for 2-methyl-2,4,5,6,7,8-hexahydroimidazo[4,5-d]azepine?
The canonical SMILES for 2-methyl-2,4,5,6,7,8-hexahydroimidazo[4,5-d]azepine is CC1N=C2CCNCCC2=N1.
What is the InChIKey of 2-methyl-2,4,5,6,7,8-hexahydroimidazo[4,5-d]azepine?
The InChIKey is JGIGSUGWCGWEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-6-10-7-2-4-9-5-3-8(7)11-6/h6,9H,2-5H2,1H3.
What are the key properties of 2-methyl-2,4,5,6,7,8-hexahydroimidazo[4,5-d]azepine?
2-methyl-2,4,5,6,7,8-hexahydroimidazo[4,5-d]azepine has a molecular weight of 151.21 g/mol, XLogP of 0.61, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,4,5,6,7,8-hexahydroimidazo[4,5-d]azepine is sourced from PubChem (CID 90874684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).