3-(5-pentyl-1H-imidazol-2-yl)pyridine

C13H17N3 — CID 69088600

IUPAC3-(5-pentyl-1H-imidazol-2-yl)pyridine
SMILESCCCCCc1cnc(-c2cccnc2)[nH]1
InChIInChI=1S/C13H17N3/c1-2-3-4-7-12-10-15-13(16-12)11-6-5-8-14-9-11/h5-6,8-10H,2-4,7H2,1H3,(H,15,16)
InChIKeyAAIVWHGKQBCBRV-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.20
Rot. Bonds5

About 3-(5-pentyl-1H-imidazol-2-yl)pyridine

3-(5-pentyl-1H-imidazol-2-yl)pyridine (PubChem CID 69088600) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-(5-pentyl-1H-imidazol-2-yl)pyridine.

Molecular Properties

Compound Name3-(5-pentyl-1H-imidazol-2-yl)pyridine
PubChem CID69088600
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name3-(5-pentyl-1H-imidazol-2-yl)pyridine
SMILESCCCCCc1cnc(-c2cccnc2)[nH]1
InChIInChI=1S/C13H17N3/c1-2-3-4-7-12-10-15-13(16-12)11-6-5-8-14-9-11/h5-6,8-10H,2-4,7H2,1H3,(H,15,16)
InChIKeyAAIVWHGKQBCBRV-UHFFFAOYSA-N
XLogP3.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.20
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 3-(5-pentyl-1H-imidazol-2-yl)pyridine?
The IUPAC name of 3-(5-pentyl-1H-imidazol-2-yl)pyridine (CID 69088600) is 3-(5-pentyl-1H-imidazol-2-yl)pyridine.
What is the SMILES notation for 3-(5-pentyl-1H-imidazol-2-yl)pyridine?
The canonical SMILES for 3-(5-pentyl-1H-imidazol-2-yl)pyridine is CCCCCc1cnc(-c2cccnc2)[nH]1.
What is the InChIKey of 3-(5-pentyl-1H-imidazol-2-yl)pyridine?
The InChIKey is AAIVWHGKQBCBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-2-3-4-7-12-10-15-13(16-12)11-6-5-8-14-9-11/h5-6,8-10H,2-4,7H2,1H3,(H,15,16).
What are the key properties of 3-(5-pentyl-1H-imidazol-2-yl)pyridine?
3-(5-pentyl-1H-imidazol-2-yl)pyridine has a molecular weight of 215.30 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-pentyl-1H-imidazol-2-yl)pyridine is sourced from PubChem (CID 69088600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).