4-[2-(8,9-dihydro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexan-1-amine

C18H24FN3 — CID 142610985

IUPAC4-[2-(8,9-dihydro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexan-1-amine
SMILESNC1CCC(F)(CCC2C3=C(CCC=C3)c3cncn32)CC1
InChIInChI=1S/C18H24FN3/c19-18(8-5-13(20)6-9-18)10-7-16-14-3-1-2-4-15(14)17-11-21-12-22(16)17/h1,3,11-13,16H,2,4-10,20H2
InChIKeyIMXGWCLJRKQZJD-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.93
Rot. Bonds3

About 4-[2-(8,9-dihydro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexan-1-amine

4-[2-(8,9-dihydro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexan-1-amine (PubChem CID 142610985) has the molecular formula C18H24FN3 and a molecular weight of 301.41 g/mol. Its IUPAC name is 4-[2-(8,9-dihydro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexan-1-amine.

Molecular Properties

Compound Name4-[2-(8,9-dihydro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexan-1-amine
PubChem CID142610985
Molecular FormulaC18H24FN3
Molecular Weight301.41 g/mol
Exact Mass301.20
IUPAC Name4-[2-(8,9-dihydro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexan-1-amine
SMILESNC1CCC(F)(CCC2C3=C(CCC=C3)c3cncn32)CC1
InChIInChI=1S/C18H24FN3/c19-18(8-5-13(20)6-9-18)10-7-16-14-3-1-2-4-15(14)17-11-21-12-22(16)17/h1,3,11-13,16H,2,4-10,20H2
InChIKeyIMXGWCLJRKQZJD-UHFFFAOYSA-N
XLogP3.93
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(8,9-dihydro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexan-1-amine?
The IUPAC name of 4-[2-(8,9-dihydro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexan-1-amine (CID 142610985) is 4-[2-(8,9-dihydro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexan-1-amine.
What is the SMILES notation for 4-[2-(8,9-dihydro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexan-1-amine?
The canonical SMILES for 4-[2-(8,9-dihydro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexan-1-amine is NC1CCC(F)(CCC2C3=C(CCC=C3)c3cncn32)CC1.
What is the InChIKey of 4-[2-(8,9-dihydro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexan-1-amine?
The InChIKey is IMXGWCLJRKQZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3/c19-18(8-5-13(20)6-9-18)10-7-16-14-3-1-2-4-15(14)17-11-21-12-22(16)17/h1,3,11-13,16H,2,4-10,20H2.
What are the key properties of 4-[2-(8,9-dihydro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexan-1-amine?
4-[2-(8,9-dihydro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexan-1-amine has a molecular weight of 301.41 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(8,9-dihydro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexan-1-amine is sourced from PubChem (CID 142610985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).