2,6-dihydroimidazo[4,5-d][1]benzazepine

C11H9N3 — CID 175809510

IUPAC2,6-dihydroimidazo[4,5-d][1]benzazepine
SMILESC1=CC2=NCN=C2c2ccccc2N1
InChIInChI=1S/C11H9N3/c1-2-4-9-8(3-1)11-10(5-6-12-9)13-7-14-11/h1-6,12H,7H2
InChIKeyXLQIXJGFQUTZSM-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.83
Rot. Bonds

About 2,6-dihydroimidazo[4,5-d][1]benzazepine

2,6-dihydroimidazo[4,5-d][1]benzazepine (PubChem CID 175809510) has the molecular formula C11H9N3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2,6-dihydroimidazo[4,5-d][1]benzazepine.

Molecular Properties

Compound Name2,6-dihydroimidazo[4,5-d][1]benzazepine
PubChem CID175809510
Molecular FormulaC11H9N3
Molecular Weight183.21 g/mol
Exact Mass183.08
IUPAC Name2,6-dihydroimidazo[4,5-d][1]benzazepine
SMILESC1=CC2=NCN=C2c2ccccc2N1
InChIInChI=1S/C11H9N3/c1-2-4-9-8(3-1)11-10(5-6-12-9)13-7-14-11/h1-6,12H,7H2
InChIKeyXLQIXJGFQUTZSM-UHFFFAOYSA-N
XLogP1.83
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1H-1-benzazepin-5-ol
CID 24767309
1-(4-methyl-1H-1-benzazepin-5-yl)propan-1-one
CID 24977556
5H-benzo[d][1]benzazepine;1,2-oxazole
CID 159629628
2-methylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepine
CID 59966586
5-chloro-1H-1-benzazepine
CID 154949039
(5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl)methanamine
CID 13136452
2-(2,3-dihydro-1H-indol-2-yl)-4-phenyl-1,2-dihydroquinazoline
CID 70937351
4-bromo-1H-1-benzazepine
CID 19388528
6-phenyl-3,4,4a,11-tetrahydro-2H-pyrido[2,3-b][1,4]benzodiazepine
CID 70354057
(4E)-4-[(1-benzyl-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl)methylidene]-1H-quinoline
CID 153492680
5-(trifluoromethyl)-2,3-dihydro-1H-1,4-benzodiazepine
CID 175060030
(5Z)-4,4-dimethyl-6-phenyl-1,3-dihydro-1,4,5-benzotriazocin-4-ium-2-one
CID 12534713

Frequently Asked Questions

What is the IUPAC name of 2,6-dihydroimidazo[4,5-d][1]benzazepine?
The IUPAC name of 2,6-dihydroimidazo[4,5-d][1]benzazepine (CID 175809510) is 2,6-dihydroimidazo[4,5-d][1]benzazepine.
What is the SMILES notation for 2,6-dihydroimidazo[4,5-d][1]benzazepine?
The canonical SMILES for 2,6-dihydroimidazo[4,5-d][1]benzazepine is C1=CC2=NCN=C2c2ccccc2N1.
What is the InChIKey of 2,6-dihydroimidazo[4,5-d][1]benzazepine?
The InChIKey is XLQIXJGFQUTZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3/c1-2-4-9-8(3-1)11-10(5-6-12-9)13-7-14-11/h1-6,12H,7H2.
What are the key properties of 2,6-dihydroimidazo[4,5-d][1]benzazepine?
2,6-dihydroimidazo[4,5-d][1]benzazepine has a molecular weight of 183.21 g/mol, XLogP of 1.83, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dihydroimidazo[4,5-d][1]benzazepine is sourced from PubChem (CID 175809510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).