2-(3-cyclohexyloxynaphthalen-2-yl)-1H-imidazo[4,5-b]pyridine

C22H21N3O — CID 13304835

IUPAC2-(3-cyclohexyloxynaphthalen-2-yl)-1H-imidazo[4,5-b]pyridine
SMILESc1ccc2cc(-c3nc4ncccc4[nH]3)c(OC3CCCCC3)cc2c1
InChIInChI=1S/C22H21N3O/c1-2-9-17(10-3-1)26-20-14-16-8-5-4-7-15(16)13-18(20)21-24-19-11-6-12-23-22(19)25-21/h4-8,11-14,17H,1-3,9-10H2,(H,23,24,25)
InChIKeyDABAIEXKUACNKY-UHFFFAOYSA-N
MW343.43 g/mol
LogP5.49
Rot. Bonds3

About 2-(3-cyclohexyloxynaphthalen-2-yl)-1H-imidazo[4,5-b]pyridine

2-(3-cyclohexyloxynaphthalen-2-yl)-1H-imidazo[4,5-b]pyridine (PubChem CID 13304835) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-(3-cyclohexyloxynaphthalen-2-yl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(3-cyclohexyloxynaphthalen-2-yl)-1H-imidazo[4,5-b]pyridine
PubChem CID13304835
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC Name2-(3-cyclohexyloxynaphthalen-2-yl)-1H-imidazo[4,5-b]pyridine
SMILESc1ccc2cc(-c3nc4ncccc4[nH]3)c(OC3CCCCC3)cc2c1
InChIInChI=1S/C22H21N3O/c1-2-9-17(10-3-1)26-20-14-16-8-5-4-7-15(16)13-18(20)21-24-19-11-6-12-23-22(19)25-21/h4-8,11-14,17H,1-3,9-10H2,(H,23,24,25)
InChIKeyDABAIEXKUACNKY-UHFFFAOYSA-N
XLogP5.49
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.43
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclohexyloxynaphthalen-2-yl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-(3-cyclohexyloxynaphthalen-2-yl)-1H-imidazo[4,5-b]pyridine (CID 13304835) is 2-(3-cyclohexyloxynaphthalen-2-yl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(3-cyclohexyloxynaphthalen-2-yl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(3-cyclohexyloxynaphthalen-2-yl)-1H-imidazo[4,5-b]pyridine is c1ccc2cc(-c3nc4ncccc4[nH]3)c(OC3CCCCC3)cc2c1.
What is the InChIKey of 2-(3-cyclohexyloxynaphthalen-2-yl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is DABAIEXKUACNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O/c1-2-9-17(10-3-1)26-20-14-16-8-5-4-7-15(16)13-18(20)21-24-19-11-6-12-23-22(19)25-21/h4-8,11-14,17H,1-3,9-10H2,(H,23,24,25).
What are the key properties of 2-(3-cyclohexyloxynaphthalen-2-yl)-1H-imidazo[4,5-b]pyridine?
2-(3-cyclohexyloxynaphthalen-2-yl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 343.43 g/mol, XLogP of 5.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclohexyloxynaphthalen-2-yl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 13304835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).