2-[3-(1H-imidazol-5-yl)propyl]pyridine

C11H13N3 — CID 11286909

IUPAC2-[3-(1H-imidazol-5-yl)propyl]pyridine
SMILESc1ccc(CCCc2cnc[nH]2)nc1
InChIInChI=1S/C11H13N3/c1-2-7-13-10(4-1)5-3-6-11-8-12-9-14-11/h1-2,4,7-9H,3,5-6H2,(H,12,14)
InChIKeyZHNFWWBRAOLLMM-UHFFFAOYSA-N
MW187.25 g/mol
LogP1.98
Rot. Bonds4

About 2-[3-(1H-imidazol-5-yl)propyl]pyridine

2-[3-(1H-imidazol-5-yl)propyl]pyridine (PubChem CID 11286909) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 2-[3-(1H-imidazol-5-yl)propyl]pyridine.

Molecular Properties

Compound Name2-[3-(1H-imidazol-5-yl)propyl]pyridine
PubChem CID11286909
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name2-[3-(1H-imidazol-5-yl)propyl]pyridine
SMILESc1ccc(CCCc2cnc[nH]2)nc1
InChIInChI=1S/C11H13N3/c1-2-7-13-10(4-1)5-3-6-11-8-12-9-14-11/h1-2,4,7-9H,3,5-6H2,(H,12,14)
InChIKeyZHNFWWBRAOLLMM-UHFFFAOYSA-N
XLogP1.98
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1H-imidazol-5-yl)propyl]pyridine?
The IUPAC name of 2-[3-(1H-imidazol-5-yl)propyl]pyridine (CID 11286909) is 2-[3-(1H-imidazol-5-yl)propyl]pyridine.
What is the SMILES notation for 2-[3-(1H-imidazol-5-yl)propyl]pyridine?
The canonical SMILES for 2-[3-(1H-imidazol-5-yl)propyl]pyridine is c1ccc(CCCc2cnc[nH]2)nc1.
What is the InChIKey of 2-[3-(1H-imidazol-5-yl)propyl]pyridine?
The InChIKey is ZHNFWWBRAOLLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-2-7-13-10(4-1)5-3-6-11-8-12-9-14-11/h1-2,4,7-9H,3,5-6H2,(H,12,14).
What are the key properties of 2-[3-(1H-imidazol-5-yl)propyl]pyridine?
2-[3-(1H-imidazol-5-yl)propyl]pyridine has a molecular weight of 187.25 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1H-imidazol-5-yl)propyl]pyridine is sourced from PubChem (CID 11286909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).