bis(cyclopropyl-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]methanol);(S)-cyclopropyl-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methanol;(R)-cyclopropyl-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methanol

C56H56N8O4 — CID 157359764

IUPACbis(cyclopropyl-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]methanol);(S)-cyclopropyl-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methanol;(R)-cyclopropyl-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methanol
SMILESOC(C1CC1)[C@@H]1c2ccccc2-c2cncn21.OC(C1CC1)[C@@H]1c2ccccc2-c2cncn21.O[C@@H](C1CC1)[C@H]1c2ccccc2-c2cncn21.O[C@H](C1CC1)[C@H]1c2ccccc2-c2cncn21
InChIInChI=1S/4C14H14N2O/c4*17-14(9-5-6-9)13-11-4-2-1-3-10(11)12-7-15-8-16(12)13/h4*1-4,7-9,13-14,17H,5-6H2/t2*13-,14?;13-,14+;13-,14-/m0011/s1
InChIKeyBIMPVGVZAZTJKX-MAKJIDBTSA-N
MW905.12 g/mol
LogP8.90
Rot. Bonds8

About bis(cyclopropyl-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]methanol);(S)-cyclopropyl-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methanol;(R)-cyclopropyl-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methanol

bis(cyclopropyl-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]methanol);(S)-cyclopropyl-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methanol;(R)-cyclopropyl-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methanol (PubChem CID 157359764) has the molecular formula C56H56N8O4 and a molecular weight of 905.12 g/mol. Its IUPAC name is bis(cyclopropyl-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]methanol);(S)-cyclopropyl-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methanol;(R)-cyclopropyl-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methanol.

Molecular Properties

Compound Namebis(cyclopropyl-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]methanol);(S)-cyclopropyl-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methanol;(R)-cyclopropyl-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methanol
PubChem CID157359764
Molecular FormulaC56H56N8O4
Molecular Weight905.12 g/mol
Exact Mass904.44
IUPAC Namebis(cyclopropyl-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]methanol);(S)-cyclopropyl-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methanol;(R)-cyclopropyl-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methanol
SMILESOC(C1CC1)[C@@H]1c2ccccc2-c2cncn21.OC(C1CC1)[C@@H]1c2ccccc2-c2cncn21.O[C@@H](C1CC1)[C@H]1c2ccccc2-c2cncn21.O[C@H](C1CC1)[C@H]1c2ccccc2-c2cncn21
InChIInChI=1S/4C14H14N2O/c4*17-14(9-5-6-9)13-11-4-2-1-3-10(11)12-7-15-8-16(12)13/h4*1-4,7-9,13-14,17H,5-6H2/t2*13-,14?;13-,14+;13-,14-/m0011/s1
InChIKeyBIMPVGVZAZTJKX-MAKJIDBTSA-N
XLogP8.90
TPSA152.20 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500905.12
LogP ≤ 58.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze bis(cyclopropyl-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]methanol);(S)-cyclopropyl-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methanol;(R)-cyclopropyl-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methanol with MolForge

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Related Compounds

1,2-bis[4-fluoro-4-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexyl]ethane-1,2-diol
CID 118938900
1-cyclohexyl-3-[5-[2-(4-ethylidenecyclohexyl)-2-hydroxyethyl]-6-fluoro-5H-imidazo[5,1-a]isoindol-2-ium-2-yl]-2-(5H-imidazo[5,1-a]isoindol-5-yl)propan-1-ol
CID 123846676
2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-[4-[1-[3-[2-(5H-imidazo[5,1-a]isoindol-5-yl)ethenyl]cyclohexyl]propan-2-ylidene]cyclohexyl]ethanol
CID 123863433
trans-(1R,2S)-5-[(5R)-8-fluoro-5-[(1R,2S)-2-hydroxycyclohexyl]-5H-imidazo[5,1-a]isoindol-9-yl]-2-[(5S)-8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]cyclohexan-1-ol
CID 129296681
(R)-(1-fluorocyclopropyl)-[(5S)-8-[2-fluoro-2-[(S)-hydroxy-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methyl]cyclopropyl]-5H-imidazo[5,1-a]isoindol-5-yl]methanol
CID 129297018
2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-[4-[1-[3-[(E)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethenyl]cyclohexyl]propan-2-ylidene]cyclohexyl]ethanol
CID 144460107
(5R)-5-[(1R)-3,3-difluorocyclohexyl]-5H-imidazo[5,1-a]isoindole;(2R)-4,4-difluoro-2-(5H-imidazo[5,1-a]isoindol-5-yl)cyclohexan-1-ol
CID 145337896
(5R)-5-[(1S)-3,3-difluorocyclohexyl]-5H-imidazo[5,1-a]isoindole;trans-(1R,2S)-4,4-difluoro-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]cyclohexan-1-ol
CID 145337943
1-cyclohexyl-2-(6,7-dihydro-5H-imidazo[5,1-a][2]benzazepin-5-yl)ethanol;1-cyclohexyl-2-(5,6-dihydroimidazo[5,1-a]isoquinolin-5-yl)ethanol;bis(1-cyclohexyl-2-[5-(trifluoromethyl)imidazo[1,5-b]isoindol-5-yl]ethanol);bis(4-[2-[6-fluoro-5-(trifluoromethyl)imidazo[1,5-b]isoindol-5-yl]-1-hydroxyethyl]cyclohexan-1-ol)
CID 157290860
5-(2-cyclohexyl-2,2-difluoroethyl)-6-fluoro-5H-imidazo[5,1-a]isoindole;5-(2-cyclohexyl-2,2-difluoroethyl)-5H-imidazo[5,1-a]isoindole;tetrakis(1-cyclohexyl-2-(4,6,9,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaen-7-yl)ethanol)
CID 159436966
1-(4,4-difluorocyclohexyl)-2-[10-(trifluoromethyl)-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl]ethanol;bis(4-[1,1-difluoro-2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexan-1-ol);bis(4-[1,1-difluoro-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexan-1-ol);1-[4-(hydroxymethyl)cyclohexyl]-2-(4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanol
CID 159872921
trans-(1R,6R)-2,2-difluoro-6-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]cyclohexan-1-ol;trans-(1R,6R)-2,2-difluoro-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]cyclohexan-1-ol;trans-(1S,6S)-2,2-difluoro-6-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]cyclohexan-1-ol;trans-(1S,6S)-2,2-difluoro-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]cyclohexan-1-ol
CID 159874874

Frequently Asked Questions

What is the IUPAC name of bis(cyclopropyl-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]methanol);(S)-cyclopropyl-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methanol;(R)-cyclopropyl-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methanol?
The IUPAC name of bis(cyclopropyl-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]methanol);(S)-cyclopropyl-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methanol;(R)-cyclopropyl-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methanol (CID 157359764) is bis(cyclopropyl-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]methanol);(S)-cyclopropyl-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methanol;(R)-cyclopropyl-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methanol.
What is the SMILES notation for bis(cyclopropyl-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]methanol);(S)-cyclopropyl-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methanol;(R)-cyclopropyl-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methanol?
The canonical SMILES for bis(cyclopropyl-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]methanol);(S)-cyclopropyl-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methanol;(R)-cyclopropyl-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methanol is OC(C1CC1)[C@@H]1c2ccccc2-c2cncn21.OC(C1CC1)[C@@H]1c2ccccc2-c2cncn21.O[C@@H](C1CC1)[C@H]1c2ccccc2-c2cncn21.O[C@H](C1CC1)[C@H]1c2ccccc2-c2cncn21.
What is the InChIKey of bis(cyclopropyl-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]methanol);(S)-cyclopropyl-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methanol;(R)-cyclopropyl-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methanol?
The InChIKey is BIMPVGVZAZTJKX-MAKJIDBTSA-N. The full InChI is InChI=1S/4C14H14N2O/c4*17-14(9-5-6-9)13-11-4-2-1-3-10(11)12-7-15-8-16(12)13/h4*1-4,7-9,13-14,17H,5-6H2/t2*13-,14?;13-,14+;13-,14-/m0011/s1.
What are the key properties of bis(cyclopropyl-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]methanol);(S)-cyclopropyl-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methanol;(R)-cyclopropyl-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methanol?
bis(cyclopropyl-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]methanol);(S)-cyclopropyl-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methanol;(R)-cyclopropyl-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methanol has a molecular weight of 905.12 g/mol, XLogP of 8.90, 8 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclopropyl-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]methanol);(S)-cyclopropyl-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methanol;(R)-cyclopropyl-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methanol is sourced from PubChem (CID 157359764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).