1H-imidazo[4,5-b]azepin-2-one

C7H5N3O — CID 67300733

IUPAC1H-imidazo[4,5-b]azepin-2-one
SMILESO=c1nc2nccccc-2[nH]1
InChIInChI=1S/C7H5N3O/c11-7-9-5-3-1-2-4-8-6(5)10-7/h1-4H,(H,8,9,10,11)
InChIKeyNJYCROAWODYRAF-UHFFFAOYSA-N
MW147.14 g/mol
LogP0.27
Rot. Bonds

About 1H-imidazo[4,5-b]azepin-2-one

1H-imidazo[4,5-b]azepin-2-one (PubChem CID 67300733) has the molecular formula C7H5N3O and a molecular weight of 147.14 g/mol. Its IUPAC name is 1H-imidazo[4,5-b]azepin-2-one.

Molecular Properties

Compound Name1H-imidazo[4,5-b]azepin-2-one
PubChem CID67300733
Molecular FormulaC7H5N3O
Molecular Weight147.14 g/mol
Exact Mass147.04
IUPAC Name1H-imidazo[4,5-b]azepin-2-one
SMILESO=c1nc2nccccc-2[nH]1
InChIInChI=1S/C7H5N3O/c11-7-9-5-3-1-2-4-8-6(5)10-7/h1-4H,(H,8,9,10,11)
InChIKeyNJYCROAWODYRAF-UHFFFAOYSA-N
XLogP0.27
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.14
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1H-imidazo[4,5-b]azepin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8,10-Diaza-4-azoniabicyclo[5.3.0]deca-1,3,4,6-tetraen-9-one
CID 163941173

Frequently Asked Questions

What is the IUPAC name of 1H-imidazo[4,5-b]azepin-2-one?
The IUPAC name of 1H-imidazo[4,5-b]azepin-2-one (CID 67300733) is 1H-imidazo[4,5-b]azepin-2-one.
What is the SMILES notation for 1H-imidazo[4,5-b]azepin-2-one?
The canonical SMILES for 1H-imidazo[4,5-b]azepin-2-one is O=c1nc2nccccc-2[nH]1.
What is the InChIKey of 1H-imidazo[4,5-b]azepin-2-one?
The InChIKey is NJYCROAWODYRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O/c11-7-9-5-3-1-2-4-8-6(5)10-7/h1-4H,(H,8,9,10,11).
What are the key properties of 1H-imidazo[4,5-b]azepin-2-one?
1H-imidazo[4,5-b]azepin-2-one has a molecular weight of 147.14 g/mol, XLogP of 0.27, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazo[4,5-b]azepin-2-one is sourced from PubChem (CID 67300733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).