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

C21H35N3 — CID 174495647

IUPAC2-(3,3-dibutylheptyl)-1H-imidazo[4,5-b]pyridine
SMILESCCCCC(CCCC)(CCCC)CCc1nc2ncccc2[nH]1
InChIInChI=1S/C21H35N3/c1-4-7-13-21(14-8-5-2,15-9-6-3)16-12-19-23-18-11-10-17-22-20(18)24-19/h10-11,17H,4-9,12-16H2,1-3H3,(H,22,23,24)
InChIKeyAZVUFOIYWFVZHI-UHFFFAOYSA-N
MW329.53 g/mol
LogP6.45
Rot. Bonds12

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

2-(3,3-dibutylheptyl)-1H-imidazo[4,5-b]pyridine (PubChem CID 174495647) has the molecular formula C21H35N3 and a molecular weight of 329.53 g/mol. Its IUPAC name is 2-(3,3-dibutylheptyl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(3,3-dibutylheptyl)-1H-imidazo[4,5-b]pyridine
PubChem CID174495647
Molecular FormulaC21H35N3
Molecular Weight329.53 g/mol
Exact Mass329.28
IUPAC Name2-(3,3-dibutylheptyl)-1H-imidazo[4,5-b]pyridine
SMILESCCCCC(CCCC)(CCCC)CCc1nc2ncccc2[nH]1
InChIInChI=1S/C21H35N3/c1-4-7-13-21(14-8-5-2,15-9-6-3)16-12-19-23-18-11-10-17-22-20(18)24-19/h10-11,17H,4-9,12-16H2,1-3H3,(H,22,23,24)
InChIKeyAZVUFOIYWFVZHI-UHFFFAOYSA-N
XLogP6.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.53
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3,3-dibutylheptyl)-1H-imidazo[4,5-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dibutylheptyl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-(3,3-dibutylheptyl)-1H-imidazo[4,5-b]pyridine (CID 174495647) is 2-(3,3-dibutylheptyl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(3,3-dibutylheptyl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(3,3-dibutylheptyl)-1H-imidazo[4,5-b]pyridine is CCCCC(CCCC)(CCCC)CCc1nc2ncccc2[nH]1.
What is the InChIKey of 2-(3,3-dibutylheptyl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is AZVUFOIYWFVZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3/c1-4-7-13-21(14-8-5-2,15-9-6-3)16-12-19-23-18-11-10-17-22-20(18)24-19/h10-11,17H,4-9,12-16H2,1-3H3,(H,22,23,24).
What are the key properties of 2-(3,3-dibutylheptyl)-1H-imidazo[4,5-b]pyridine?
2-(3,3-dibutylheptyl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 329.53 g/mol, XLogP of 6.45, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dibutylheptyl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 174495647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).