5-(1-fluoroethyl)-2-(4-propylcyclohepta-1,3,6-trien-1-yl)-4H-imidazole

C15H19FN2 — CID 156543755

IUPAC5-(1-fluoroethyl)-2-(4-propylcyclohepta-1,3,6-trien-1-yl)-4H-imidazole
SMILESCCCC1=CC=C(C2=NCC(C(C)F)=N2)C=CC1
InChIInChI=1S/C15H19FN2/c1-3-5-12-6-4-7-13(9-8-12)15-17-10-14(18-15)11(2)16/h4,7-9,11H,3,5-6,10H2,1-2H3
InChIKeyQPRSOWWEBQKGSI-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.81
Rot. Bonds4

About 5-(1-fluoroethyl)-2-(4-propylcyclohepta-1,3,6-trien-1-yl)-4H-imidazole

5-(1-fluoroethyl)-2-(4-propylcyclohepta-1,3,6-trien-1-yl)-4H-imidazole (PubChem CID 156543755) has the molecular formula C15H19FN2 and a molecular weight of 246.33 g/mol. Its IUPAC name is 5-(1-fluoroethyl)-2-(4-propylcyclohepta-1,3,6-trien-1-yl)-4H-imidazole.

Molecular Properties

Compound Name5-(1-fluoroethyl)-2-(4-propylcyclohepta-1,3,6-trien-1-yl)-4H-imidazole
PubChem CID156543755
Molecular FormulaC15H19FN2
Molecular Weight246.33 g/mol
Exact Mass246.15
IUPAC Name5-(1-fluoroethyl)-2-(4-propylcyclohepta-1,3,6-trien-1-yl)-4H-imidazole
SMILESCCCC1=CC=C(C2=NCC(C(C)F)=N2)C=CC1
InChIInChI=1S/C15H19FN2/c1-3-5-12-6-4-7-13(9-8-12)15-17-10-14(18-15)11(2)16/h4,7-9,11H,3,5-6,10H2,1-2H3
InChIKeyQPRSOWWEBQKGSI-UHFFFAOYSA-N
XLogP3.81
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1-fluoroethyl)-2-(4-propylcyclohepta-1,3,6-trien-1-yl)-4H-imidazole?
The IUPAC name of 5-(1-fluoroethyl)-2-(4-propylcyclohepta-1,3,6-trien-1-yl)-4H-imidazole (CID 156543755) is 5-(1-fluoroethyl)-2-(4-propylcyclohepta-1,3,6-trien-1-yl)-4H-imidazole.
What is the SMILES notation for 5-(1-fluoroethyl)-2-(4-propylcyclohepta-1,3,6-trien-1-yl)-4H-imidazole?
The canonical SMILES for 5-(1-fluoroethyl)-2-(4-propylcyclohepta-1,3,6-trien-1-yl)-4H-imidazole is CCCC1=CC=C(C2=NCC(C(C)F)=N2)C=CC1.
What is the InChIKey of 5-(1-fluoroethyl)-2-(4-propylcyclohepta-1,3,6-trien-1-yl)-4H-imidazole?
The InChIKey is QPRSOWWEBQKGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2/c1-3-5-12-6-4-7-13(9-8-12)15-17-10-14(18-15)11(2)16/h4,7-9,11H,3,5-6,10H2,1-2H3.
What are the key properties of 5-(1-fluoroethyl)-2-(4-propylcyclohepta-1,3,6-trien-1-yl)-4H-imidazole?
5-(1-fluoroethyl)-2-(4-propylcyclohepta-1,3,6-trien-1-yl)-4H-imidazole has a molecular weight of 246.33 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-fluoroethyl)-2-(4-propylcyclohepta-1,3,6-trien-1-yl)-4H-imidazole is sourced from PubChem (CID 156543755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).