2-fluoro-6-[1-[1-(1H-imidazol-2-yl)propyl]imidazol-2-yl]-1,2-dihydropyridine

C14H16FN5 — CID 22181660

IUPAC2-fluoro-6-[1-[1-(1H-imidazol-2-yl)propyl]imidazol-2-yl]-1,2-dihydropyridine
SMILESCCC(c1ncc[nH]1)n1ccnc1C1=CC=CC(F)N1
InChIInChI=1S/C14H16FN5/c1-2-11(13-16-6-7-17-13)20-9-8-18-14(20)10-4-3-5-12(15)19-10/h3-9,11-12,19H,2H2,1H3,(H,16,17)
InChIKeyXJVPJWMDEKXGNV-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.40
Rot. Bonds4

About 2-fluoro-6-[1-[1-(1H-imidazol-2-yl)propyl]imidazol-2-yl]-1,2-dihydropyridine

2-fluoro-6-[1-[1-(1H-imidazol-2-yl)propyl]imidazol-2-yl]-1,2-dihydropyridine (PubChem CID 22181660) has the molecular formula C14H16FN5 and a molecular weight of 273.31 g/mol. Its IUPAC name is 2-fluoro-6-[1-[1-(1H-imidazol-2-yl)propyl]imidazol-2-yl]-1,2-dihydropyridine.

Molecular Properties

Compound Name2-fluoro-6-[1-[1-(1H-imidazol-2-yl)propyl]imidazol-2-yl]-1,2-dihydropyridine
PubChem CID22181660
Molecular FormulaC14H16FN5
Molecular Weight273.31 g/mol
Exact Mass273.14
IUPAC Name2-fluoro-6-[1-[1-(1H-imidazol-2-yl)propyl]imidazol-2-yl]-1,2-dihydropyridine
SMILESCCC(c1ncc[nH]1)n1ccnc1C1=CC=CC(F)N1
InChIInChI=1S/C14H16FN5/c1-2-11(13-16-6-7-17-13)20-9-8-18-14(20)10-4-3-5-12(15)19-10/h3-9,11-12,19H,2H2,1H3,(H,16,17)
InChIKeyXJVPJWMDEKXGNV-UHFFFAOYSA-N
XLogP2.40
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[1-[1-(1H-imidazol-2-yl)propyl]imidazol-2-yl]-1,2-dihydropyridine?
The IUPAC name of 2-fluoro-6-[1-[1-(1H-imidazol-2-yl)propyl]imidazol-2-yl]-1,2-dihydropyridine (CID 22181660) is 2-fluoro-6-[1-[1-(1H-imidazol-2-yl)propyl]imidazol-2-yl]-1,2-dihydropyridine.
What is the SMILES notation for 2-fluoro-6-[1-[1-(1H-imidazol-2-yl)propyl]imidazol-2-yl]-1,2-dihydropyridine?
The canonical SMILES for 2-fluoro-6-[1-[1-(1H-imidazol-2-yl)propyl]imidazol-2-yl]-1,2-dihydropyridine is CCC(c1ncc[nH]1)n1ccnc1C1=CC=CC(F)N1.
What is the InChIKey of 2-fluoro-6-[1-[1-(1H-imidazol-2-yl)propyl]imidazol-2-yl]-1,2-dihydropyridine?
The InChIKey is XJVPJWMDEKXGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN5/c1-2-11(13-16-6-7-17-13)20-9-8-18-14(20)10-4-3-5-12(15)19-10/h3-9,11-12,19H,2H2,1H3,(H,16,17).
What are the key properties of 2-fluoro-6-[1-[1-(1H-imidazol-2-yl)propyl]imidazol-2-yl]-1,2-dihydropyridine?
2-fluoro-6-[1-[1-(1H-imidazol-2-yl)propyl]imidazol-2-yl]-1,2-dihydropyridine has a molecular weight of 273.31 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[1-[1-(1H-imidazol-2-yl)propyl]imidazol-2-yl]-1,2-dihydropyridine is sourced from PubChem (CID 22181660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).