2-methyl-2-pentylimidazo[4,5-b]pyridine

C12H17N3 — CID 19012225

IUPAC2-methyl-2-pentylimidazo[4,5-b]pyridine
SMILESCCCCCC1(C)N=c2cccnc2=N1
InChIInChI=1S/C12H17N3/c1-3-4-5-8-12(2)14-10-7-6-9-13-11(10)15-12/h6-7,9H,3-5,8H2,1-2H3
InChIKeyHWXNEMKARZNQQC-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.63
Rot. Bonds4

About 2-methyl-2-pentylimidazo[4,5-b]pyridine

2-methyl-2-pentylimidazo[4,5-b]pyridine (PubChem CID 19012225) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-methyl-2-pentylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-methyl-2-pentylimidazo[4,5-b]pyridine
PubChem CID19012225
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name2-methyl-2-pentylimidazo[4,5-b]pyridine
SMILESCCCCCC1(C)N=c2cccnc2=N1
InChIInChI=1S/C12H17N3/c1-3-4-5-8-12(2)14-10-7-6-9-13-11(10)15-12/h6-7,9H,3-5,8H2,1-2H3
InChIKeyHWXNEMKARZNQQC-UHFFFAOYSA-N
XLogP1.63
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Spiro[cyclohexane-1,2'-imidazo[4,5-b]pyridine]
CID 15144947
2-N,3-N-dipentylpyridine-2,3-diimine
CID 68572089
4-Butyl-2-methylpyrrolo[2,3-d]pyrimidin-7-ium
CID 123919130
2-butyl-5-methyl-5H-imidazo[4,5-b]pyridine
CID 150760662
2-N-pentylpyridine-2,3-diimine
CID 156480022
Spiro[cyclopentane-1,2'-imidazo[4,5-b]pyridine]
CID 45120767
2-octyl-3aH-benzimidazole
CID 53401065

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-pentylimidazo[4,5-b]pyridine?
The IUPAC name of 2-methyl-2-pentylimidazo[4,5-b]pyridine (CID 19012225) is 2-methyl-2-pentylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-methyl-2-pentylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-methyl-2-pentylimidazo[4,5-b]pyridine is CCCCCC1(C)N=c2cccnc2=N1.
What is the InChIKey of 2-methyl-2-pentylimidazo[4,5-b]pyridine?
The InChIKey is HWXNEMKARZNQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-3-4-5-8-12(2)14-10-7-6-9-13-11(10)15-12/h6-7,9H,3-5,8H2,1-2H3.
What are the key properties of 2-methyl-2-pentylimidazo[4,5-b]pyridine?
2-methyl-2-pentylimidazo[4,5-b]pyridine has a molecular weight of 203.29 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-pentylimidazo[4,5-b]pyridine is sourced from PubChem (CID 19012225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).