2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1H-imidazo[4,5-b]pyridine

C14H11N3 — CID 66394584

IUPAC2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1H-imidazo[4,5-b]pyridine
SMILESc1ccc2c(c1)CC2c1nc2ncccc2[nH]1
InChIInChI=1S/C14H11N3/c1-2-5-10-9(4-1)8-11(10)13-16-12-6-3-7-15-14(12)17-13/h1-7,11H,8H2,(H,15,16,17)
InChIKeyHLDGNZDYZAAJKT-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.65
Rot. Bonds1

About 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1H-imidazo[4,5-b]pyridine

2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1H-imidazo[4,5-b]pyridine (PubChem CID 66394584) has the molecular formula C14H11N3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1H-imidazo[4,5-b]pyridine
PubChem CID66394584
Molecular FormulaC14H11N3
Molecular Weight221.26 g/mol
Exact Mass221.10
IUPAC Name2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1H-imidazo[4,5-b]pyridine
SMILESc1ccc2c(c1)CC2c1nc2ncccc2[nH]1
InChIInChI=1S/C14H11N3/c1-2-5-10-9(4-1)8-11(10)13-16-12-6-3-7-15-14(12)17-13/h1-7,11H,8H2,(H,15,16,17)
InChIKeyHLDGNZDYZAAJKT-UHFFFAOYSA-N
XLogP2.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1H-imidazo[4,5-b]pyridine (CID 66394584) is 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1H-imidazo[4,5-b]pyridine is c1ccc2c(c1)CC2c1nc2ncccc2[nH]1.
What is the InChIKey of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is HLDGNZDYZAAJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3/c1-2-5-10-9(4-1)8-11(10)13-16-12-6-3-7-15-14(12)17-13/h1-7,11H,8H2,(H,15,16,17).
What are the key properties of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1H-imidazo[4,5-b]pyridine?
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 221.26 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 66394584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).