2-(4-fluorophenyl)-5,6-diphenyl-1-propylimidazo[1,2-a]imidazole

C26H22FN3 — CID 4311842

IUPAC2-(4-fluorophenyl)-5,6-diphenyl-1-propylimidazo[1,2-a]imidazole
SMILESCCCn1c(-c2ccc(F)cc2)cn2c(-c3ccccc3)c(-c3ccccc3)nc12
InChIInChI=1S/C26H22FN3/c1-2-17-29-23(19-13-15-22(27)16-14-19)18-30-25(21-11-7-4-8-12-21)24(28-26(29)30)20-9-5-3-6-10-20/h3-16,18H,2,17H2,1H3
InChIKeyMCVOYLQCKAPEHI-UHFFFAOYSA-N
MW395.48 g/mol
LogP6.69
Rot. Bonds5

About 2-(4-fluorophenyl)-5,6-diphenyl-1-propylimidazo[1,2-a]imidazole

2-(4-fluorophenyl)-5,6-diphenyl-1-propylimidazo[1,2-a]imidazole (PubChem CID 4311842) has the molecular formula C26H22FN3 and a molecular weight of 395.48 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5,6-diphenyl-1-propylimidazo[1,2-a]imidazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5,6-diphenyl-1-propylimidazo[1,2-a]imidazole
PubChem CID4311842
Molecular FormulaC26H22FN3
Molecular Weight395.48 g/mol
Exact Mass395.18
IUPAC Name2-(4-fluorophenyl)-5,6-diphenyl-1-propylimidazo[1,2-a]imidazole
SMILESCCCn1c(-c2ccc(F)cc2)cn2c(-c3ccccc3)c(-c3ccccc3)nc12
InChIInChI=1S/C26H22FN3/c1-2-17-29-23(19-13-15-22(27)16-14-19)18-30-25(21-11-7-4-8-12-21)24(28-26(29)30)20-9-5-3-6-10-20/h3-16,18H,2,17H2,1H3
InChIKeyMCVOYLQCKAPEHI-UHFFFAOYSA-N
XLogP6.69
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.48
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5,6-diphenyl-1-propylimidazo[1,2-a]imidazole?
The IUPAC name of 2-(4-fluorophenyl)-5,6-diphenyl-1-propylimidazo[1,2-a]imidazole (CID 4311842) is 2-(4-fluorophenyl)-5,6-diphenyl-1-propylimidazo[1,2-a]imidazole.
What is the SMILES notation for 2-(4-fluorophenyl)-5,6-diphenyl-1-propylimidazo[1,2-a]imidazole?
The canonical SMILES for 2-(4-fluorophenyl)-5,6-diphenyl-1-propylimidazo[1,2-a]imidazole is CCCn1c(-c2ccc(F)cc2)cn2c(-c3ccccc3)c(-c3ccccc3)nc12.
What is the InChIKey of 2-(4-fluorophenyl)-5,6-diphenyl-1-propylimidazo[1,2-a]imidazole?
The InChIKey is MCVOYLQCKAPEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN3/c1-2-17-29-23(19-13-15-22(27)16-14-19)18-30-25(21-11-7-4-8-12-21)24(28-26(29)30)20-9-5-3-6-10-20/h3-16,18H,2,17H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-5,6-diphenyl-1-propylimidazo[1,2-a]imidazole?
2-(4-fluorophenyl)-5,6-diphenyl-1-propylimidazo[1,2-a]imidazole has a molecular weight of 395.48 g/mol, XLogP of 6.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5,6-diphenyl-1-propylimidazo[1,2-a]imidazole is sourced from PubChem (CID 4311842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).