2-heptyl-6-nonan-3-yl-1H-imidazo[4,5-b]pyridine

C22H37N3 — CID 129213465

IUPAC2-heptyl-6-nonan-3-yl-1H-imidazo[4,5-b]pyridine
SMILESCCCCCCCc1nc2ncc(C(CC)CCCCCC)cc2[nH]1
InChIInChI=1S/C22H37N3/c1-4-7-9-11-13-15-21-24-20-16-19(17-23-22(20)25-21)18(6-3)14-12-10-8-5-2/h16-18H,4-15H2,1-3H3,(H,23,24,25)
InChIKeyOLDVRTKGWRJERE-UHFFFAOYSA-N
MW343.56 g/mol
LogP6.93
Rot. Bonds13

About 2-heptyl-6-nonan-3-yl-1H-imidazo[4,5-b]pyridine

2-heptyl-6-nonan-3-yl-1H-imidazo[4,5-b]pyridine (PubChem CID 129213465) has the molecular formula C22H37N3 and a molecular weight of 343.56 g/mol. Its IUPAC name is 2-heptyl-6-nonan-3-yl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-heptyl-6-nonan-3-yl-1H-imidazo[4,5-b]pyridine
PubChem CID129213465
Molecular FormulaC22H37N3
Molecular Weight343.56 g/mol
Exact Mass343.30
IUPAC Name2-heptyl-6-nonan-3-yl-1H-imidazo[4,5-b]pyridine
SMILESCCCCCCCc1nc2ncc(C(CC)CCCCCC)cc2[nH]1
InChIInChI=1S/C22H37N3/c1-4-7-9-11-13-15-21-24-20-16-19(17-23-22(20)25-21)18(6-3)14-12-10-8-5-2/h16-18H,4-15H2,1-3H3,(H,23,24,25)
InChIKeyOLDVRTKGWRJERE-UHFFFAOYSA-N
XLogP6.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.56
LogP ≤ 56.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-heptyl-6-nonan-3-yl-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-heptyl-6-nonan-3-yl-1H-imidazo[4,5-b]pyridine (CID 129213465) is 2-heptyl-6-nonan-3-yl-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-heptyl-6-nonan-3-yl-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-heptyl-6-nonan-3-yl-1H-imidazo[4,5-b]pyridine is CCCCCCCc1nc2ncc(C(CC)CCCCCC)cc2[nH]1.
What is the InChIKey of 2-heptyl-6-nonan-3-yl-1H-imidazo[4,5-b]pyridine?
The InChIKey is OLDVRTKGWRJERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N3/c1-4-7-9-11-13-15-21-24-20-16-19(17-23-22(20)25-21)18(6-3)14-12-10-8-5-2/h16-18H,4-15H2,1-3H3,(H,23,24,25).
What are the key properties of 2-heptyl-6-nonan-3-yl-1H-imidazo[4,5-b]pyridine?
2-heptyl-6-nonan-3-yl-1H-imidazo[4,5-b]pyridine has a molecular weight of 343.56 g/mol, XLogP of 6.93, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptyl-6-nonan-3-yl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 129213465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).