4-[2-[(E)-2-chloroethenyl]-5-(4-fluorophenyl)-2,3-dihydro-1H-imidazol-4-yl]-2,3-dihydropyridine

C16H15ClFN3 — CID 20644654

IUPAC4-[2-[(E)-2-chloroethenyl]-5-(4-fluorophenyl)-2,3-dihydro-1H-imidazol-4-yl]-2,3-dihydropyridine
SMILESFc1ccc(C2=C(C3=CC=NCC3)NC(/C=C/Cl)N2)cc1
InChIInChI=1S/C16H15ClFN3/c17-8-5-14-20-15(11-1-3-13(18)4-2-11)16(21-14)12-6-9-19-10-7-12/h1-6,8-9,14,20-21H,7,10H2/b8-5+
InChIKeyVXUREOXYDCZZFK-VMPITWQZSA-N
MW303.77 g/mol
LogP3.17
Rot. Bonds3

About 4-[2-[(E)-2-chloroethenyl]-5-(4-fluorophenyl)-2,3-dihydro-1H-imidazol-4-yl]-2,3-dihydropyridine

4-[2-[(E)-2-chloroethenyl]-5-(4-fluorophenyl)-2,3-dihydro-1H-imidazol-4-yl]-2,3-dihydropyridine (PubChem CID 20644654) has the molecular formula C16H15ClFN3 and a molecular weight of 303.77 g/mol. Its IUPAC name is 4-[2-[(E)-2-chloroethenyl]-5-(4-fluorophenyl)-2,3-dihydro-1H-imidazol-4-yl]-2,3-dihydropyridine.

Molecular Properties

Compound Name4-[2-[(E)-2-chloroethenyl]-5-(4-fluorophenyl)-2,3-dihydro-1H-imidazol-4-yl]-2,3-dihydropyridine
PubChem CID20644654
Molecular FormulaC16H15ClFN3
Molecular Weight303.77 g/mol
Exact Mass303.09
IUPAC Name4-[2-[(E)-2-chloroethenyl]-5-(4-fluorophenyl)-2,3-dihydro-1H-imidazol-4-yl]-2,3-dihydropyridine
SMILESFc1ccc(C2=C(C3=CC=NCC3)NC(/C=C/Cl)N2)cc1
InChIInChI=1S/C16H15ClFN3/c17-8-5-14-20-15(11-1-3-13(18)4-2-11)16(21-14)12-6-9-19-10-7-12/h1-6,8-9,14,20-21H,7,10H2/b8-5+
InChIKeyVXUREOXYDCZZFK-VMPITWQZSA-N
XLogP3.17
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.77
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(E)-2-chloroethenyl]-5-(4-fluorophenyl)-2,3-dihydro-1H-imidazol-4-yl]-2,3-dihydropyridine?
The IUPAC name of 4-[2-[(E)-2-chloroethenyl]-5-(4-fluorophenyl)-2,3-dihydro-1H-imidazol-4-yl]-2,3-dihydropyridine (CID 20644654) is 4-[2-[(E)-2-chloroethenyl]-5-(4-fluorophenyl)-2,3-dihydro-1H-imidazol-4-yl]-2,3-dihydropyridine.
What is the SMILES notation for 4-[2-[(E)-2-chloroethenyl]-5-(4-fluorophenyl)-2,3-dihydro-1H-imidazol-4-yl]-2,3-dihydropyridine?
The canonical SMILES for 4-[2-[(E)-2-chloroethenyl]-5-(4-fluorophenyl)-2,3-dihydro-1H-imidazol-4-yl]-2,3-dihydropyridine is Fc1ccc(C2=C(C3=CC=NCC3)NC(/C=C/Cl)N2)cc1.
What is the InChIKey of 4-[2-[(E)-2-chloroethenyl]-5-(4-fluorophenyl)-2,3-dihydro-1H-imidazol-4-yl]-2,3-dihydropyridine?
The InChIKey is VXUREOXYDCZZFK-VMPITWQZSA-N. The full InChI is InChI=1S/C16H15ClFN3/c17-8-5-14-20-15(11-1-3-13(18)4-2-11)16(21-14)12-6-9-19-10-7-12/h1-6,8-9,14,20-21H,7,10H2/b8-5+.
What are the key properties of 4-[2-[(E)-2-chloroethenyl]-5-(4-fluorophenyl)-2,3-dihydro-1H-imidazol-4-yl]-2,3-dihydropyridine?
4-[2-[(E)-2-chloroethenyl]-5-(4-fluorophenyl)-2,3-dihydro-1H-imidazol-4-yl]-2,3-dihydropyridine has a molecular weight of 303.77 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(E)-2-chloroethenyl]-5-(4-fluorophenyl)-2,3-dihydro-1H-imidazol-4-yl]-2,3-dihydropyridine is sourced from PubChem (CID 20644654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).