imidazo[4,5-g][1]benzazepine

C11H7N3 — CID 70405147

IUPACimidazo[4,5-g][1]benzazepine
SMILESc1ccc2c(ccc3ncnc32)nc1
InChIInChI=1S/C11H7N3/c1-2-6-12-9-4-5-10-11(8(9)3-1)14-7-13-10/h1-7H
InChIKeyDZOXTOVSMREXGT-UHFFFAOYSA-N
MW181.20 g/mol
LogP2.18
Rot. Bonds

About imidazo[4,5-g][1]benzazepine

imidazo[4,5-g][1]benzazepine (PubChem CID 70405147) has the molecular formula C11H7N3 and a molecular weight of 181.20 g/mol. Its IUPAC name is imidazo[4,5-g][1]benzazepine.

Molecular Properties

Compound Nameimidazo[4,5-g][1]benzazepine
PubChem CID70405147
Molecular FormulaC11H7N3
Molecular Weight181.20 g/mol
Exact Mass181.06
IUPAC Nameimidazo[4,5-g][1]benzazepine
SMILESc1ccc2c(ccc3ncnc32)nc1
InChIInChI=1S/C11H7N3/c1-2-6-12-9-4-5-10-11(8(9)3-1)14-7-13-10/h1-7H
InChIKeyDZOXTOVSMREXGT-UHFFFAOYSA-N
XLogP2.18
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrrolobenzodiazepine
CID 87072684
4H-benzimidazole
CID 9548686
4Hindole
CID 15011916
9H-Pyrido[4,3-b]indole
CID 15897929
Imidazolo[4,5-f]indole
CID 18952429
Pyrrolo[2,3-c]carbazole
CID 19960015
Pyrrolo-[3,2-f]indole
CID 21252023
1h Pyrido[4,3 b]indole
CID 21499447
Pyrrolo[3,2-b]carbazole
CID 21886979
Imidazocarbazole
CID 21887508
4H-cyclohepta[d]pyrimidine
CID 45080391
Pyrrolobenzimidazole
CID 53687060

Frequently Asked Questions

What is the IUPAC name of imidazo[4,5-g][1]benzazepine?
The IUPAC name of imidazo[4,5-g][1]benzazepine (CID 70405147) is imidazo[4,5-g][1]benzazepine.
What is the SMILES notation for imidazo[4,5-g][1]benzazepine?
The canonical SMILES for imidazo[4,5-g][1]benzazepine is c1ccc2c(ccc3ncnc32)nc1.
What is the InChIKey of imidazo[4,5-g][1]benzazepine?
The InChIKey is DZOXTOVSMREXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3/c1-2-6-12-9-4-5-10-11(8(9)3-1)14-7-13-10/h1-7H.
What are the key properties of imidazo[4,5-g][1]benzazepine?
imidazo[4,5-g][1]benzazepine has a molecular weight of 181.20 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[4,5-g][1]benzazepine is sourced from PubChem (CID 70405147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).