1H-imidazo[1,2-a]azepine

C8H8N2 — CID 45087531

IUPAC1H-imidazo[1,2-a]azepine
SMILESC1=CC=C2NC=CN2C=C1
InChIInChI=1S/C8H8N2/c1-2-4-8-9-5-7-10(8)6-3-1/h1-7,9H
InChIKeyTXOJGPGCRACVGL-UHFFFAOYSA-N
MW132.17 g/mol
LogP1.29
Rot. Bonds

About 1H-imidazo[1,2-a]azepine

1H-imidazo[1,2-a]azepine (PubChem CID 45087531) has the molecular formula C8H8N2 and a molecular weight of 132.17 g/mol. Its IUPAC name is 1H-imidazo[1,2-a]azepine.

Molecular Properties

Compound Name1H-imidazo[1,2-a]azepine
PubChem CID45087531
Molecular FormulaC8H8N2
Molecular Weight132.17 g/mol
Exact Mass132.07
IUPAC Name1H-imidazo[1,2-a]azepine
SMILESC1=CC=C2NC=CN2C=C1
InChIInChI=1S/C8H8N2/c1-2-4-8-9-5-7-10(8)6-3-1/h1-7,9H
InChIKeyTXOJGPGCRACVGL-UHFFFAOYSA-N
XLogP1.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.17
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-imidazo[1,2-a]azepine?
The IUPAC name of 1H-imidazo[1,2-a]azepine (CID 45087531) is 1H-imidazo[1,2-a]azepine.
What is the SMILES notation for 1H-imidazo[1,2-a]azepine?
The canonical SMILES for 1H-imidazo[1,2-a]azepine is C1=CC=C2NC=CN2C=C1.
What is the InChIKey of 1H-imidazo[1,2-a]azepine?
The InChIKey is TXOJGPGCRACVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2/c1-2-4-8-9-5-7-10(8)6-3-1/h1-7,9H.
What are the key properties of 1H-imidazo[1,2-a]azepine?
1H-imidazo[1,2-a]azepine has a molecular weight of 132.17 g/mol, XLogP of 1.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazo[1,2-a]azepine is sourced from PubChem (CID 45087531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).