5-(4-fluorophenyl)-5-(oxan-4-ylmethyl)imidazo[2,1-a]isoindole

C22H21FN2O — CID 56679926

IUPAC5-(4-fluorophenyl)-5-(oxan-4-ylmethyl)imidazo[2,1-a]isoindole
SMILESFc1ccc(C2(CC3CCOCC3)c3ccccc3-c3nccn32)cc1
InChIInChI=1S/C22H21FN2O/c23-18-7-5-17(6-8-18)22(15-16-9-13-26-14-10-16)20-4-2-1-3-19(20)21-24-11-12-25(21)22/h1-8,11-12,16H,9-10,13-15H2
InChIKeyRXXVIEXCMOKUEL-UHFFFAOYSA-N
MW348.42 g/mol
LogP4.61
Rot. Bonds3

About 5-(4-fluorophenyl)-5-(oxan-4-ylmethyl)imidazo[2,1-a]isoindole

5-(4-fluorophenyl)-5-(oxan-4-ylmethyl)imidazo[2,1-a]isoindole (PubChem CID 56679926) has the molecular formula C22H21FN2O and a molecular weight of 348.42 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-5-(oxan-4-ylmethyl)imidazo[2,1-a]isoindole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-5-(oxan-4-ylmethyl)imidazo[2,1-a]isoindole
PubChem CID56679926
Molecular FormulaC22H21FN2O
Molecular Weight348.42 g/mol
Exact Mass348.16
IUPAC Name5-(4-fluorophenyl)-5-(oxan-4-ylmethyl)imidazo[2,1-a]isoindole
SMILESFc1ccc(C2(CC3CCOCC3)c3ccccc3-c3nccn32)cc1
InChIInChI=1S/C22H21FN2O/c23-18-7-5-17(6-8-18)22(15-16-9-13-26-14-10-16)20-4-2-1-3-19(20)21-24-11-12-25(21)22/h1-8,11-12,16H,9-10,13-15H2
InChIKeyRXXVIEXCMOKUEL-UHFFFAOYSA-N
XLogP4.61
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-Bromophenyl)-5-[2-(oxan-4-yl)ethyl]imidazo[2,1-a]isoindole
CID 56659483
5-(4-Chlorophenyl)-5-(oxan-4-ylmethyl)imidazo[2,1-a]isoindole
CID 56659485
5-(4-Bromophenyl)-5-(oxan-4-ylmethyl)imidazo[2,1-a]isoindole
CID 56676652
5-Benzyl-5-(4-fluorophenyl)imidazo[2,1-a]isoindole
CID 56676659
4-[5-(Oxan-4-ylmethyl)imidazo[1,2-b]isoindol-5-yl]benzonitrile
CID 56676660
1-cyclohexyl-2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol
CID 70874453
US10233190, Example 1376
CID 70874703
6-fluoro-5-(oxan-4-yl)-5H-imidazo[5,1-a]isoindole
CID 155550907
1-cyclohexyl-2-(7-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol
CID 155559275
5-Benzyl-5-(4-methylphenyl)imidazo[2,1-a]isoindole
CID 46206934
US10233190, Example 1403
CID 70874315
US10233190, Example 1381
CID 89052946

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-5-(oxan-4-ylmethyl)imidazo[2,1-a]isoindole?
The IUPAC name of 5-(4-fluorophenyl)-5-(oxan-4-ylmethyl)imidazo[2,1-a]isoindole (CID 56679926) is 5-(4-fluorophenyl)-5-(oxan-4-ylmethyl)imidazo[2,1-a]isoindole.
What is the SMILES notation for 5-(4-fluorophenyl)-5-(oxan-4-ylmethyl)imidazo[2,1-a]isoindole?
The canonical SMILES for 5-(4-fluorophenyl)-5-(oxan-4-ylmethyl)imidazo[2,1-a]isoindole is Fc1ccc(C2(CC3CCOCC3)c3ccccc3-c3nccn32)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-5-(oxan-4-ylmethyl)imidazo[2,1-a]isoindole?
The InChIKey is RXXVIEXCMOKUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O/c23-18-7-5-17(6-8-18)22(15-16-9-13-26-14-10-16)20-4-2-1-3-19(20)21-24-11-12-25(21)22/h1-8,11-12,16H,9-10,13-15H2.
What are the key properties of 5-(4-fluorophenyl)-5-(oxan-4-ylmethyl)imidazo[2,1-a]isoindole?
5-(4-fluorophenyl)-5-(oxan-4-ylmethyl)imidazo[2,1-a]isoindole has a molecular weight of 348.42 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-5-(oxan-4-ylmethyl)imidazo[2,1-a]isoindole is sourced from PubChem (CID 56679926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).