2-(5-prop-2-enyl-1H-imidazol-2-yl)pyridine

C11H11N3 — CID 70153012

IUPAC2-(5-prop-2-enyl-1H-imidazol-2-yl)pyridine
SMILESC=CCc1cnc(-c2ccccn2)[nH]1
InChIInChI=1S/C11H11N3/c1-2-5-9-8-13-11(14-9)10-6-3-4-7-12-10/h2-4,6-8H,1,5H2,(H,13,14)
InChIKeyTUACXIPKYAYVKV-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.20
Rot. Bonds3

About 2-(5-prop-2-enyl-1H-imidazol-2-yl)pyridine

2-(5-prop-2-enyl-1H-imidazol-2-yl)pyridine (PubChem CID 70153012) has the molecular formula C11H11N3 and a molecular weight of 185.23 g/mol. Its IUPAC name is 2-(5-prop-2-enyl-1H-imidazol-2-yl)pyridine.

Molecular Properties

Compound Name2-(5-prop-2-enyl-1H-imidazol-2-yl)pyridine
PubChem CID70153012
Molecular FormulaC11H11N3
Molecular Weight185.23 g/mol
Exact Mass185.10
IUPAC Name2-(5-prop-2-enyl-1H-imidazol-2-yl)pyridine
SMILESC=CCc1cnc(-c2ccccn2)[nH]1
InChIInChI=1S/C11H11N3/c1-2-5-9-8-13-11(14-9)10-6-3-4-7-12-10/h2-4,6-8H,1,5H2,(H,13,14)
InChIKeyTUACXIPKYAYVKV-UHFFFAOYSA-N
XLogP2.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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2-(3-Trifluoromethylphenyl)histamine
CID 5310982
2-((4-pyridin-2-ylpiperazine-1-yl)methyl)-1H-benzimidazole
CID 5025739
3-(1H-imidazol-5-yl)pyridine
CID 3040177
Immethridine
CID 9989505
2-(2'-Pyridyl)benzimidazole
CID 70821
4-(4-fluorophenyl)-1H-imidazole
CID 657876
1H-Benzimidazole-2-pentanamine
CID 162387
5H-Pyrrolo(3,2-d)pyrimidin-4-amine
CID 5287565
2-(pyridin-4-yl)-1H-1,3-benzodiazole
CID 247634

Frequently Asked Questions

What is the IUPAC name of 2-(5-prop-2-enyl-1H-imidazol-2-yl)pyridine?
The IUPAC name of 2-(5-prop-2-enyl-1H-imidazol-2-yl)pyridine (CID 70153012) is 2-(5-prop-2-enyl-1H-imidazol-2-yl)pyridine.
What is the SMILES notation for 2-(5-prop-2-enyl-1H-imidazol-2-yl)pyridine?
The canonical SMILES for 2-(5-prop-2-enyl-1H-imidazol-2-yl)pyridine is C=CCc1cnc(-c2ccccn2)[nH]1.
What is the InChIKey of 2-(5-prop-2-enyl-1H-imidazol-2-yl)pyridine?
The InChIKey is TUACXIPKYAYVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3/c1-2-5-9-8-13-11(14-9)10-6-3-4-7-12-10/h2-4,6-8H,1,5H2,(H,13,14).
What are the key properties of 2-(5-prop-2-enyl-1H-imidazol-2-yl)pyridine?
2-(5-prop-2-enyl-1H-imidazol-2-yl)pyridine has a molecular weight of 185.23 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-prop-2-enyl-1H-imidazol-2-yl)pyridine is sourced from PubChem (CID 70153012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).