N-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexyl]benzamide

C25H27N3O2 — CID 70914208

IUPACN-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexyl]benzamide
SMILESO=C(NC1CCC(C(O)CC2c3ccccc3-c3cncn32)CC1)c1ccccc1
InChIInChI=1S/C25H27N3O2/c29-24(14-22-20-8-4-5-9-21(20)23-15-26-16-28(22)23)17-10-12-19(13-11-17)27-25(30)18-6-2-1-3-7-18/h1-9,15-17,19,22,24,29H,10-14H2,(H,27,30)
InChIKeyGGPLEOHHSWNDKN-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.19
Rot. Bonds5

About N-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexyl]benzamide

N-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexyl]benzamide (PubChem CID 70914208) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexyl]benzamide.

Molecular Properties

Compound NameN-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexyl]benzamide
PubChem CID70914208
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC NameN-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexyl]benzamide
SMILESO=C(NC1CCC(C(O)CC2c3ccccc3-c3cncn32)CC1)c1ccccc1
InChIInChI=1S/C25H27N3O2/c29-24(14-22-20-8-4-5-9-21(20)23-15-26-16-28(22)23)17-10-12-19(13-11-17)27-25(30)18-6-2-1-3-7-18/h1-9,15-17,19,22,24,29H,10-14H2,(H,27,30)
InChIKeyGGPLEOHHSWNDKN-UHFFFAOYSA-N
XLogP4.19
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexyl]benzamide?
The IUPAC name of N-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexyl]benzamide (CID 70914208) is N-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexyl]benzamide.
What is the SMILES notation for N-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexyl]benzamide?
The canonical SMILES for N-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexyl]benzamide is O=C(NC1CCC(C(O)CC2c3ccccc3-c3cncn32)CC1)c1ccccc1.
What is the InChIKey of N-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexyl]benzamide?
The InChIKey is GGPLEOHHSWNDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c29-24(14-22-20-8-4-5-9-21(20)23-15-26-16-28(22)23)17-10-12-19(13-11-17)27-25(30)18-6-2-1-3-7-18/h1-9,15-17,19,22,24,29H,10-14H2,(H,27,30).
What are the key properties of N-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexyl]benzamide?
N-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexyl]benzamide has a molecular weight of 401.51 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexyl]benzamide is sourced from PubChem (CID 70914208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).