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

C12H10N2 — CID 69062925

IUPAC3H-imidazo[2,1-b][3]benzazepine
SMILESC1=CN2CC=NC2=Cc2ccccc21
InChIInChI=1S/C12H10N2/c1-2-4-11-9-12-13-6-8-14(12)7-5-10(11)3-1/h1-7,9H,8H2
InChIKeyWCQUXHMDSKHEPY-UHFFFAOYSA-N
MW182.23 g/mol
LogP2.36
Rot. Bonds

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

3H-imidazo[2,1-b][3]benzazepine (PubChem CID 69062925) has the molecular formula C12H10N2 and a molecular weight of 182.23 g/mol. Its IUPAC name is 3H-imidazo[2,1-b][3]benzazepine.

Molecular Properties

Compound Name3H-imidazo[2,1-b][3]benzazepine
PubChem CID69062925
Molecular FormulaC12H10N2
Molecular Weight182.23 g/mol
Exact Mass182.08
IUPAC Name3H-imidazo[2,1-b][3]benzazepine
SMILESC1=CN2CC=NC2=Cc2ccccc21
InChIInChI=1S/C12H10N2/c1-2-4-11-9-12-13-6-8-14(12)7-5-10(11)3-1/h1-7,9H,8H2
InChIKeyWCQUXHMDSKHEPY-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3H-imidazo[2,1-b][3]benzazepine?
The IUPAC name of 3H-imidazo[2,1-b][3]benzazepine (CID 69062925) is 3H-imidazo[2,1-b][3]benzazepine.
What is the SMILES notation for 3H-imidazo[2,1-b][3]benzazepine?
The canonical SMILES for 3H-imidazo[2,1-b][3]benzazepine is C1=CN2CC=NC2=Cc2ccccc21.
What is the InChIKey of 3H-imidazo[2,1-b][3]benzazepine?
The InChIKey is WCQUXHMDSKHEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2/c1-2-4-11-9-12-13-6-8-14(12)7-5-10(11)3-1/h1-7,9H,8H2.
What are the key properties of 3H-imidazo[2,1-b][3]benzazepine?
3H-imidazo[2,1-b][3]benzazepine has a molecular weight of 182.23 g/mol, XLogP of 2.36, 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-b][3]benzazepine is sourced from PubChem (CID 69062925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).