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

C25H27N3O3 — CID 118639298

IUPACN-[4-hydroxy-4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexyl]benzamide
SMILESO=C(NC1CCC(O)(C(O)CC2c3ccccc3-c3cncn32)CC1)c1ccccc1
InChIInChI=1S/C25H27N3O3/c29-23(14-21-19-8-4-5-9-20(19)22-15-26-16-28(21)22)25(31)12-10-18(11-13-25)27-24(30)17-6-2-1-3-7-17/h1-9,15-16,18,21,23,29,31H,10-14H2,(H,27,30)
InChIKeyBUPNYWISPCVKFF-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.31
Rot. Bonds5

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

N-[4-hydroxy-4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexyl]benzamide (PubChem CID 118639298) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-[4-hydroxy-4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexyl]benzamide.

Molecular Properties

Compound NameN-[4-hydroxy-4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexyl]benzamide
PubChem CID118639298
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC NameN-[4-hydroxy-4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexyl]benzamide
SMILESO=C(NC1CCC(O)(C(O)CC2c3ccccc3-c3cncn32)CC1)c1ccccc1
InChIInChI=1S/C25H27N3O3/c29-23(14-21-19-8-4-5-9-20(19)22-15-26-16-28(21)22)25(31)12-10-18(11-13-25)27-24(30)17-6-2-1-3-7-17/h1-9,15-16,18,21,23,29,31H,10-14H2,(H,27,30)
InChIKeyBUPNYWISPCVKFF-UHFFFAOYSA-N
XLogP3.31
TPSA87.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[7-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-2-tricyclo[3.3.1.03,7]nonanyl]benzamide
CID 163522941
N-cyclopentyl-5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]bicyclo[3.2.2]nonane-1-carboxamide
CID 145402213
5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]bicyclo[3.2.2]nonane-1-carboxylic acid
CID 145402383
benzyl N-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexyl]carbamate
CID 118931223
1-(1-amino-4-phenylmethoxycyclohexyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol
CID 121322100
N-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-1-bicyclo[2.2.2]octanyl]cyclohexanecarboxamide
CID 145402359
N-cyclopentyl-4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidine-1-carboxamide
CID 77141528
5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]bicyclo[3.2.2]nonane-1-carboxamide
CID 145402215
2-[4-[(1S)-1-hydroxy-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidin-1-yl]-1-phenylethanone
CID 66558807
4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-N-(2-phenylethyl)bicyclo[3.2.2]nonane-1-carboxamide
CID 163875829
1-[4-(aminomethyl)cyclohexyl]-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol;N-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexyl]acetamide
CID 159456688
1-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]cyclohexane-1,4-diol
CID 118633334

Frequently Asked Questions

What is the IUPAC name of N-[4-hydroxy-4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexyl]benzamide?
The IUPAC name of N-[4-hydroxy-4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexyl]benzamide (CID 118639298) is N-[4-hydroxy-4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexyl]benzamide.
What is the SMILES notation for N-[4-hydroxy-4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexyl]benzamide?
The canonical SMILES for N-[4-hydroxy-4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexyl]benzamide is O=C(NC1CCC(O)(C(O)CC2c3ccccc3-c3cncn32)CC1)c1ccccc1.
What is the InChIKey of N-[4-hydroxy-4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexyl]benzamide?
The InChIKey is BUPNYWISPCVKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c29-23(14-21-19-8-4-5-9-20(19)22-15-26-16-28(21)22)25(31)12-10-18(11-13-25)27-24(30)17-6-2-1-3-7-17/h1-9,15-16,18,21,23,29,31H,10-14H2,(H,27,30).
What are the key properties of N-[4-hydroxy-4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexyl]benzamide?
N-[4-hydroxy-4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexyl]benzamide has a molecular weight of 417.51 g/mol, XLogP of 3.31, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-hydroxy-4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexyl]benzamide is sourced from PubChem (CID 118639298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).