1-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]cyclobutan-1-ol;1-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]cyclobutan-1-ol

C28H28N4O2 — CID 157485261

IUPAC1-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]cyclobutan-1-ol;1-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]cyclobutan-1-ol
SMILESOC1([C@@H]2c3ccccc3-c3cncn32)CCC1.OC1([C@H]2c3ccccc3-c3cncn32)CCC1
InChIInChI=1S/2C14H14N2O/c2*17-14(6-3-7-14)13-11-5-2-1-4-10(11)12-8-15-9-16(12)13/h2*1-2,4-5,8-9,13,17H,3,6-7H2/t2*13-/m10/s1
InChIKeyBWQGQOHUASHVRT-JACLSRQLSA-N
MW452.56 g/mol
LogP4.74
Rot. Bonds2

About 1-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]cyclobutan-1-ol;1-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]cyclobutan-1-ol

1-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]cyclobutan-1-ol;1-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]cyclobutan-1-ol (PubChem CID 157485261) has the molecular formula C28H28N4O2 and a molecular weight of 452.56 g/mol. Its IUPAC name is 1-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]cyclobutan-1-ol;1-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]cyclobutan-1-ol;1-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]cyclobutan-1-ol
PubChem CID157485261
Molecular FormulaC28H28N4O2
Molecular Weight452.56 g/mol
Exact Mass452.22
IUPAC Name1-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]cyclobutan-1-ol;1-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]cyclobutan-1-ol
SMILESOC1([C@@H]2c3ccccc3-c3cncn32)CCC1.OC1([C@H]2c3ccccc3-c3cncn32)CCC1
InChIInChI=1S/2C14H14N2O/c2*17-14(6-3-7-14)13-11-5-2-1-4-10(11)12-8-15-9-16(12)13/h2*1-2,4-5,8-9,13,17H,3,6-7H2/t2*13-/m10/s1
InChIKeyBWQGQOHUASHVRT-JACLSRQLSA-N
XLogP4.74
TPSA76.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]cyclobutan-1-ol;1-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]cyclobutan-1-ol with MolForge

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Related Compounds

1-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]cyclobutan-1-ol
CID 129282746
1-(5H-imidazo[5,1-a]isoindol-5-yl)cycloheptan-1-ol
CID 129282639
4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxan-4-ol
CID 129282637
trans-(1R,2S)-2-(5H-imidazo[5,1-a]isoindol-5-yl)-2,6,6-trimethylcyclohexan-1-ol
CID 137405869
2-(5H-imidazo[5,1-a]isoindol-5-yl)-2,6,6-trimethylcyclohexan-1-one
CID 129296297
(8R)-8-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-6,7-dihydro-5H-isoquinolin-8-ol
CID 129283334
tert-butyl 3-hydroxy-3-(5H-imidazo[5,1-a]isoindol-5-yl)pyrrolidine-1-carboxylate
CID 129282845
2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-methylcyclobutan-1-ol
CID 175796682
trans-(1R,6R)-6-(5H-imidazo[5,1-a]isoindol-5-yl)-2,2-dimethylcyclohexan-1-ol
CID 137405870
(5S,6S)-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]spiro[2.3]hexan-5-ol
CID 129296590
5-cyclohexyl-5H-imidazo[5,1-a]isoindole
CID 137374390
trans-(1R,5R)-5-(5H-imidazo[5,1-a]isoindol-5-yl)-2,2-dimethylcyclopentan-1-ol
CID 137405749

Frequently Asked Questions

What is the IUPAC name of 1-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]cyclobutan-1-ol;1-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]cyclobutan-1-ol?
The IUPAC name of 1-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]cyclobutan-1-ol;1-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]cyclobutan-1-ol (CID 157485261) is 1-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]cyclobutan-1-ol;1-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]cyclobutan-1-ol.
What is the SMILES notation for 1-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]cyclobutan-1-ol;1-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]cyclobutan-1-ol?
The canonical SMILES for 1-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]cyclobutan-1-ol;1-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]cyclobutan-1-ol is OC1([C@@H]2c3ccccc3-c3cncn32)CCC1.OC1([C@H]2c3ccccc3-c3cncn32)CCC1.
What is the InChIKey of 1-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]cyclobutan-1-ol;1-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]cyclobutan-1-ol?
The InChIKey is BWQGQOHUASHVRT-JACLSRQLSA-N. The full InChI is InChI=1S/2C14H14N2O/c2*17-14(6-3-7-14)13-11-5-2-1-4-10(11)12-8-15-9-16(12)13/h2*1-2,4-5,8-9,13,17H,3,6-7H2/t2*13-/m10/s1.
What are the key properties of 1-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]cyclobutan-1-ol;1-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]cyclobutan-1-ol?
1-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]cyclobutan-1-ol;1-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]cyclobutan-1-ol has a molecular weight of 452.56 g/mol, XLogP of 4.74, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]cyclobutan-1-ol;1-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]cyclobutan-1-ol is sourced from PubChem (CID 157485261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).