Imidazobenzazepine

C11H7N3 — CID 67235958

IUPACimidazo[4,5-i][1]benzazepine
SMILESC1=CC=NC2=C3C(=NC=N3)C=CC2=C1
InChIInChI=1S/C11H7N3/c1-2-6-12-10-8(3-1)4-5-9-11(10)14-7-13-9/h1-7H
InChIKeyXKZRHJPCEMWNIX-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.20
Rot. Bonds

About Imidazobenzazepine

Imidazobenzazepine (PubChem CID 67235958) has the molecular formula C11H7N3 and a molecular weight of 181.19 g/mol. Its IUPAC name is imidazo[4,5-i][1]benzazepine.

Molecular Properties

Compound NameImidazobenzazepine
PubChem CID67235958
Molecular FormulaC11H7N3
Molecular Weight181.19 g/mol
Exact Mass181.06
IUPAC Nameimidazo[4,5-i][1]benzazepine
SMILESC1=CC=NC2=C3C(=NC=N3)C=CC2=C1
InChIInChI=1S/C11H7N3/c1-2-6-12-10-8(3-1)4-5-9-11(10)14-7-13-9/h1-7H
InChIKeyXKZRHJPCEMWNIX-UHFFFAOYSA-N
XLogP1.20
TPSA37.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity497

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of Imidazobenzazepine?
The IUPAC name of Imidazobenzazepine (CID 67235958) is imidazo[4,5-i][1]benzazepine.
What is the SMILES notation for Imidazobenzazepine?
The canonical SMILES for Imidazobenzazepine is C1=CC=NC2=C3C(=NC=N3)C=CC2=C1.
What is the InChIKey of Imidazobenzazepine?
The InChIKey is XKZRHJPCEMWNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3/c1-2-6-12-10-8(3-1)4-5-9-11(10)14-7-13-9/h1-7H.
What are the key properties of Imidazobenzazepine?
Imidazobenzazepine has a molecular weight of 181.19 g/mol, XLogP of 1.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Imidazobenzazepine is sourced from PubChem (CID 67235958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).