2-[4-(4,5-dihydro-1H-imidazol-5-yl)cyclohexen-1-yl]-2H-pyridine

C14H17N3 — CID 87858348

IUPAC2-[4-(4,5-dihydro-1H-imidazol-5-yl)cyclohexen-1-yl]-2H-pyridine
SMILESC1=CC=CC(C2=CCC(C3CN=CN3)CC2)N=1
InChIInChI=1S/C14H17N3/c1-2-8-16-13(3-1)11-4-6-12(7-5-11)14-9-15-10-17-14/h1-4,10,12-14H,5-7,9H2,(H,15,17)
InChIKeyJEKFEDWFAJIRJT-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.88
Rot. Bonds2

About 2-[4-(4,5-dihydro-1H-imidazol-5-yl)cyclohexen-1-yl]-2H-pyridine

2-[4-(4,5-dihydro-1H-imidazol-5-yl)cyclohexen-1-yl]-2H-pyridine (PubChem CID 87858348) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-[4-(4,5-dihydro-1H-imidazol-5-yl)cyclohexen-1-yl]-2H-pyridine.

Molecular Properties

Compound Name2-[4-(4,5-dihydro-1H-imidazol-5-yl)cyclohexen-1-yl]-2H-pyridine
PubChem CID87858348
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name2-[4-(4,5-dihydro-1H-imidazol-5-yl)cyclohexen-1-yl]-2H-pyridine
SMILESC1=CC=CC(C2=CCC(C3CN=CN3)CC2)N=1
InChIInChI=1S/C14H17N3/c1-2-8-16-13(3-1)11-4-6-12(7-5-11)14-9-15-10-17-14/h1-4,10,12-14H,5-7,9H2,(H,15,17)
InChIKeyJEKFEDWFAJIRJT-UHFFFAOYSA-N
XLogP1.88
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,5-dihydro-1H-imidazol-5-yl)cyclohexen-1-yl]-2H-pyridine?
The IUPAC name of 2-[4-(4,5-dihydro-1H-imidazol-5-yl)cyclohexen-1-yl]-2H-pyridine (CID 87858348) is 2-[4-(4,5-dihydro-1H-imidazol-5-yl)cyclohexen-1-yl]-2H-pyridine.
What is the SMILES notation for 2-[4-(4,5-dihydro-1H-imidazol-5-yl)cyclohexen-1-yl]-2H-pyridine?
The canonical SMILES for 2-[4-(4,5-dihydro-1H-imidazol-5-yl)cyclohexen-1-yl]-2H-pyridine is C1=CC=CC(C2=CCC(C3CN=CN3)CC2)N=1.
What is the InChIKey of 2-[4-(4,5-dihydro-1H-imidazol-5-yl)cyclohexen-1-yl]-2H-pyridine?
The InChIKey is JEKFEDWFAJIRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-2-8-16-13(3-1)11-4-6-12(7-5-11)14-9-15-10-17-14/h1-4,10,12-14H,5-7,9H2,(H,15,17).
What are the key properties of 2-[4-(4,5-dihydro-1H-imidazol-5-yl)cyclohexen-1-yl]-2H-pyridine?
2-[4-(4,5-dihydro-1H-imidazol-5-yl)cyclohexen-1-yl]-2H-pyridine has a molecular weight of 227.31 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,5-dihydro-1H-imidazol-5-yl)cyclohexen-1-yl]-2H-pyridine is sourced from PubChem (CID 87858348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).