4-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-N-phenylcyclohexane-1-carboxamide

C25H26FN3O2 — CID 70874802

IUPAC4-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-N-phenylcyclohexane-1-carboxamide
SMILESO=C(Nc1ccccc1)C1CCC(C(O)CC2c3c(F)cccc3-c3cncn32)CC1
InChIInChI=1S/C25H26FN3O2/c26-20-8-4-7-19-22-14-27-15-29(22)21(24(19)20)13-23(30)16-9-11-17(12-10-16)25(31)28-18-5-2-1-3-6-18/h1-8,14-17,21,23,30H,9-13H2,(H,28,31)
InChIKeyVISMIBIBEYHWCU-UHFFFAOYSA-N
MW419.50 g/mol
LogP4.79
Rot. Bonds5

About 4-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-N-phenylcyclohexane-1-carboxamide

4-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-N-phenylcyclohexane-1-carboxamide (PubChem CID 70874802) has the molecular formula C25H26FN3O2 and a molecular weight of 419.50 g/mol. Its IUPAC name is 4-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-N-phenylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-N-phenylcyclohexane-1-carboxamide
PubChem CID70874802
Molecular FormulaC25H26FN3O2
Molecular Weight419.50 g/mol
Exact Mass419.20
IUPAC Name4-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-N-phenylcyclohexane-1-carboxamide
SMILESO=C(Nc1ccccc1)C1CCC(C(O)CC2c3c(F)cccc3-c3cncn32)CC1
InChIInChI=1S/C25H26FN3O2/c26-20-8-4-7-19-22-14-27-15-29(22)21(24(19)20)13-23(30)16-9-11-17(12-10-16)25(31)28-18-5-2-1-3-6-18/h1-8,14-17,21,23,30H,9-13H2,(H,28,31)
InChIKeyVISMIBIBEYHWCU-UHFFFAOYSA-N
XLogP4.79
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-N-phenylcyclohexane-1-carboxamide?
The IUPAC name of 4-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-N-phenylcyclohexane-1-carboxamide (CID 70874802) is 4-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-N-phenylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-N-phenylcyclohexane-1-carboxamide?
The canonical SMILES for 4-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-N-phenylcyclohexane-1-carboxamide is O=C(Nc1ccccc1)C1CCC(C(O)CC2c3c(F)cccc3-c3cncn32)CC1.
What is the InChIKey of 4-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-N-phenylcyclohexane-1-carboxamide?
The InChIKey is VISMIBIBEYHWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O2/c26-20-8-4-7-19-22-14-27-15-29(22)21(24(19)20)13-23(30)16-9-11-17(12-10-16)25(31)28-18-5-2-1-3-6-18/h1-8,14-17,21,23,30H,9-13H2,(H,28,31).
What are the key properties of 4-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-N-phenylcyclohexane-1-carboxamide?
4-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-N-phenylcyclohexane-1-carboxamide has a molecular weight of 419.50 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-N-phenylcyclohexane-1-carboxamide is sourced from PubChem (CID 70874802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).