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

C20H26FN3O — CID 142610997

IUPAC2-[4-[2-(8,9-dihydro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexyl]acetamide
SMILESNC(=O)CC1CCC(F)(CCC2C3=C(CCC=C3)c3cncn32)CC1
InChIInChI=1S/C20H26FN3O/c21-20(8-5-14(6-9-20)11-19(22)25)10-7-17-15-3-1-2-4-16(15)18-12-23-13-24(17)18/h1,3,12-14,17H,2,4-11H2,(H2,22,25)
InChIKeyNFDZPWBDFSZLGC-UHFFFAOYSA-N
MW343.45 g/mol
LogP4.10
Rot. Bonds5

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

2-[4-[2-(8,9-dihydro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexyl]acetamide (PubChem CID 142610997) has the molecular formula C20H26FN3O and a molecular weight of 343.45 g/mol. Its IUPAC name is 2-[4-[2-(8,9-dihydro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexyl]acetamide.

Molecular Properties

Compound Name2-[4-[2-(8,9-dihydro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexyl]acetamide
PubChem CID142610997
Molecular FormulaC20H26FN3O
Molecular Weight343.45 g/mol
Exact Mass343.21
IUPAC Name2-[4-[2-(8,9-dihydro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexyl]acetamide
SMILESNC(=O)CC1CCC(F)(CCC2C3=C(CCC=C3)c3cncn32)CC1
InChIInChI=1S/C20H26FN3O/c21-20(8-5-14(6-9-20)11-19(22)25)10-7-17-15-3-1-2-4-16(15)18-12-23-13-24(17)18/h1,3,12-14,17H,2,4-11H2,(H2,22,25)
InChIKeyNFDZPWBDFSZLGC-UHFFFAOYSA-N
XLogP4.10
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(8,9-dihydro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexyl]acetamide?
The IUPAC name of 2-[4-[2-(8,9-dihydro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexyl]acetamide (CID 142610997) is 2-[4-[2-(8,9-dihydro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexyl]acetamide.
What is the SMILES notation for 2-[4-[2-(8,9-dihydro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexyl]acetamide?
The canonical SMILES for 2-[4-[2-(8,9-dihydro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexyl]acetamide is NC(=O)CC1CCC(F)(CCC2C3=C(CCC=C3)c3cncn32)CC1.
What is the InChIKey of 2-[4-[2-(8,9-dihydro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexyl]acetamide?
The InChIKey is NFDZPWBDFSZLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O/c21-20(8-5-14(6-9-20)11-19(22)25)10-7-17-15-3-1-2-4-16(15)18-12-23-13-24(17)18/h1,3,12-14,17H,2,4-11H2,(H2,22,25).
What are the key properties of 2-[4-[2-(8,9-dihydro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexyl]acetamide?
2-[4-[2-(8,9-dihydro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexyl]acetamide has a molecular weight of 343.45 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(8,9-dihydro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexyl]acetamide is sourced from PubChem (CID 142610997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).