3H-imidazo[2,1-a][2]benzazepine

C12H10N2 — CID 141441491

IUPAC3H-imidazo[2,1-a][2]benzazepine
SMILESC1=CN2CC=NC2=c2ccccc2=C1
InChIInChI=1S/C12H10N2/c1-2-6-11-10(4-1)5-3-8-14-9-7-13-12(11)14/h1-8H,9H2
InChIKeyRMWFLKGXFGQBDK-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.45
Rot. Bonds

About 3H-imidazo[2,1-a][2]benzazepine

3H-imidazo[2,1-a][2]benzazepine (PubChem CID 141441491) has the molecular formula C12H10N2 and a molecular weight of 182.23 g/mol. Its IUPAC name is 3H-imidazo[2,1-a][2]benzazepine.

Molecular Properties

Compound Name3H-imidazo[2,1-a][2]benzazepine
PubChem CID141441491
Molecular FormulaC12H10N2
Molecular Weight182.23 g/mol
Exact Mass182.08
IUPAC Name3H-imidazo[2,1-a][2]benzazepine
SMILESC1=CN2CC=NC2=c2ccccc2=C1
InChIInChI=1S/C12H10N2/c1-2-6-11-10(4-1)5-3-8-14-9-7-13-12(11)14/h1-8H,9H2
InChIKeyRMWFLKGXFGQBDK-UHFFFAOYSA-N
XLogP0.45
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Pyrazino[2,1-b]quinazoline
CID 129653308
Tetrahydrodibenzo[c,e]imidazo[1,2-a]azepine
CID 163201044
Pyrimido[1,2-b][2]benzazepine
CID 54222472
7aH-pyrimido[2,1-a]isoquinoline
CID 57201531
3H-imidazo[1,5-d][1,4]benzodiazepine
CID 67726965
3,12,14-Triazatetracyclo[7.7.0.02,6.010,14]hexadeca-1,3,5,7,9,11,15-heptaene
CID 69616118
1H-imidazo[1,2-b][2]benzazepine
CID 88491045
7-Propan-2-yl-3,8a-dihydroimidazo[1,2-a]pyridine
CID 117797893
5,9-Dimethyl-2,9-diazabicyclo[4.3.1]deca-2,4,6(10),7-tetraene
CID 123401588
(2E)-1-methyl-2-pent-3-en-2-ylidenepyrimidine
CID 134594357
1H-imidazo[2,1-c][1,4]benzodiazepine
CID 140346772
2,9,14-Triazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),3,5,7,9,11,13,15-octaene
CID 141277336

Frequently Asked Questions

What is the IUPAC name of 3H-imidazo[2,1-a][2]benzazepine?
The IUPAC name of 3H-imidazo[2,1-a][2]benzazepine (CID 141441491) is 3H-imidazo[2,1-a][2]benzazepine.
What is the SMILES notation for 3H-imidazo[2,1-a][2]benzazepine?
The canonical SMILES for 3H-imidazo[2,1-a][2]benzazepine is C1=CN2CC=NC2=c2ccccc2=C1.
What is the InChIKey of 3H-imidazo[2,1-a][2]benzazepine?
The InChIKey is RMWFLKGXFGQBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2/c1-2-6-11-10(4-1)5-3-8-14-9-7-13-12(11)14/h1-8H,9H2.
What are the key properties of 3H-imidazo[2,1-a][2]benzazepine?
3H-imidazo[2,1-a][2]benzazepine has a molecular weight of 182.23 g/mol, XLogP of 0.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-imidazo[2,1-a][2]benzazepine is sourced from PubChem (CID 141441491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).