(Z)-3-[5-(6-fluoro-2-pyridinyl)-4,5-dihydro-1H-imidazol-2-yl]-1-pyrrolidin-1-ylprop-2-en-1-imine

C15H18FN5 — CID 166873177

IUPAC(Z)-3-[5-(6-fluoro-2-pyridinyl)-4,5-dihydro-1H-imidazol-2-yl]-1-pyrrolidin-1-ylprop-2-en-1-imine
SMILES[H]/N=C(/C=C\C1=NCC(c2cccc(F)n2)N1)N1CCCC1
InChIInChI=1S/C15H18FN5/c16-13-5-3-4-11(19-13)12-10-18-15(20-12)7-6-14(17)21-8-1-2-9-21/h3-7,12,17H,1-2,8-10H2,(H,18,20)/b7-6-,17-14-
InChIKeyPNYYECLWCZRTDJ-NSPZJROXSA-N
MW287.34 g/mol
LogP1.89
Rot. Bonds3

About (Z)-3-[5-(6-fluoro-2-pyridinyl)-4,5-dihydro-1H-imidazol-2-yl]-1-pyrrolidin-1-ylprop-2-en-1-imine

(Z)-3-[5-(6-fluoro-2-pyridinyl)-4,5-dihydro-1H-imidazol-2-yl]-1-pyrrolidin-1-ylprop-2-en-1-imine (PubChem CID 166873177) has the molecular formula C15H18FN5 and a molecular weight of 287.34 g/mol. Its IUPAC name is (Z)-3-[5-(6-fluoro-2-pyridinyl)-4,5-dihydro-1H-imidazol-2-yl]-1-pyrrolidin-1-ylprop-2-en-1-imine.

Molecular Properties

Compound Name(Z)-3-[5-(6-fluoro-2-pyridinyl)-4,5-dihydro-1H-imidazol-2-yl]-1-pyrrolidin-1-ylprop-2-en-1-imine
PubChem CID166873177
Molecular FormulaC15H18FN5
Molecular Weight287.34 g/mol
Exact Mass287.15
IUPAC Name(Z)-3-[5-(6-fluoro-2-pyridinyl)-4,5-dihydro-1H-imidazol-2-yl]-1-pyrrolidin-1-ylprop-2-en-1-imine
SMILES[H]/N=C(/C=C\C1=NCC(c2cccc(F)n2)N1)N1CCCC1
InChIInChI=1S/C15H18FN5/c16-13-5-3-4-11(19-13)12-10-18-15(20-12)7-6-14(17)21-8-1-2-9-21/h3-7,12,17H,1-2,8-10H2,(H,18,20)/b7-6-,17-14-
InChIKeyPNYYECLWCZRTDJ-NSPZJROXSA-N
XLogP1.89
TPSA64.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-[5-(6-fluoro-2-pyridinyl)-4,5-dihydro-1H-imidazol-2-yl]-1-pyrrolidin-1-ylprop-2-en-1-imine?
The IUPAC name of (Z)-3-[5-(6-fluoro-2-pyridinyl)-4,5-dihydro-1H-imidazol-2-yl]-1-pyrrolidin-1-ylprop-2-en-1-imine (CID 166873177) is (Z)-3-[5-(6-fluoro-2-pyridinyl)-4,5-dihydro-1H-imidazol-2-yl]-1-pyrrolidin-1-ylprop-2-en-1-imine.
What is the SMILES notation for (Z)-3-[5-(6-fluoro-2-pyridinyl)-4,5-dihydro-1H-imidazol-2-yl]-1-pyrrolidin-1-ylprop-2-en-1-imine?
The canonical SMILES for (Z)-3-[5-(6-fluoro-2-pyridinyl)-4,5-dihydro-1H-imidazol-2-yl]-1-pyrrolidin-1-ylprop-2-en-1-imine is [H]/N=C(/C=C\C1=NCC(c2cccc(F)n2)N1)N1CCCC1.
What is the InChIKey of (Z)-3-[5-(6-fluoro-2-pyridinyl)-4,5-dihydro-1H-imidazol-2-yl]-1-pyrrolidin-1-ylprop-2-en-1-imine?
The InChIKey is PNYYECLWCZRTDJ-NSPZJROXSA-N. The full InChI is InChI=1S/C15H18FN5/c16-13-5-3-4-11(19-13)12-10-18-15(20-12)7-6-14(17)21-8-1-2-9-21/h3-7,12,17H,1-2,8-10H2,(H,18,20)/b7-6-,17-14-.
What are the key properties of (Z)-3-[5-(6-fluoro-2-pyridinyl)-4,5-dihydro-1H-imidazol-2-yl]-1-pyrrolidin-1-ylprop-2-en-1-imine?
(Z)-3-[5-(6-fluoro-2-pyridinyl)-4,5-dihydro-1H-imidazol-2-yl]-1-pyrrolidin-1-ylprop-2-en-1-imine has a molecular weight of 287.34 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[5-(6-fluoro-2-pyridinyl)-4,5-dihydro-1H-imidazol-2-yl]-1-pyrrolidin-1-ylprop-2-en-1-imine is sourced from PubChem (CID 166873177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).