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)

C115H132F14N12O8 — CID 157290860

IUPAC1-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)
SMILESOC(CC1(C(F)(F)F)c2ccccc2-c2cncn21)C1CCCCC1.OC(CC1(C(F)(F)F)c2ccccc2-c2cncn21)C1CCCCC1.OC(CC1CCc2ccccc2-c2cncn21)C1CCCCC1.OC(CC1Cc2ccccc2-c2cncn21)C1CCCCC1.OC1CCC(C(O)CC2(C(F)(F)F)c3c(F)cccc3-c3cncn32)CC1.OC1CCC(C(O)CC2(C(F)(F)F)c3c(F)cccc3-c3cncn32)CC1
InChIInChI=1S/C20H26N2O.2C19H20F4N2O2.2C19H21F3N2O.C19H24N2O/c23-20(16-7-2-1-3-8-16)12-17-11-10-15-6-4-5-9-18(15)19-13-21-14-22(17)19;2*20-14-3-1-2-13-15-9-24-10-25(15)18(17(13)14,19(21,22)23)8-16(27)11-4-6-12(26)7-5-11;2*20-19(21,22)18(10-17(25)13-6-2-1-3-7-13)15-9-5-4-8-14(15)16-11-23-12-24(16)18;22-19(14-6-2-1-3-7-14)11-16-10-15-8-4-5-9-17(15)18-12-20-13-21(16)18/h4-6,9,13-14,16-17,20,23H,1-3,7-8,10-12H2;2*1-3,9-12,16,26-27H,4-8H2;2*4-5,8-9,11-13,17,25H,1-3,6-7,10H2;4-5,8-9,12-14,16,19,22H,1-3,6-7,10-11H2
InChIKeyBAUBNRSJKSWCRT-UHFFFAOYSA-N
MW2076.37 g/mol
LogP24.57
Rot. Bonds18

About 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)

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) (PubChem CID 157290860) has the molecular formula C115H132F14N12O8 and a molecular weight of 2076.37 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound Name1-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)
PubChem CID157290860
Molecular FormulaC115H132F14N12O8
Molecular Weight2076.37 g/mol
Exact Mass2075.01
IUPAC Name1-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)
SMILESOC(CC1(C(F)(F)F)c2ccccc2-c2cncn21)C1CCCCC1.OC(CC1(C(F)(F)F)c2ccccc2-c2cncn21)C1CCCCC1.OC(CC1CCc2ccccc2-c2cncn21)C1CCCCC1.OC(CC1Cc2ccccc2-c2cncn21)C1CCCCC1.OC1CCC(C(O)CC2(C(F)(F)F)c3c(F)cccc3-c3cncn32)CC1.OC1CCC(C(O)CC2(C(F)(F)F)c3c(F)cccc3-c3cncn32)CC1
InChIInChI=1S/C20H26N2O.2C19H20F4N2O2.2C19H21F3N2O.C19H24N2O/c23-20(16-7-2-1-3-8-16)12-17-11-10-15-6-4-5-9-18(15)19-13-21-14-22(17)19;2*20-14-3-1-2-13-15-9-24-10-25(15)18(17(13)14,19(21,22)23)8-16(27)11-4-6-12(26)7-5-11;2*20-19(21,22)18(10-17(25)13-6-2-1-3-7-13)15-9-5-4-8-14(15)16-11-23-12-24(16)18;22-19(14-6-2-1-3-7-14)11-16-10-15-8-4-5-9-17(15)18-12-20-13-21(16)18/h4-6,9,13-14,16-17,20,23H,1-3,7-8,10-12H2;2*1-3,9-12,16,26-27H,4-8H2;2*4-5,8-9,11-13,17,25H,1-3,6-7,10H2;4-5,8-9,12-14,16,19,22H,1-3,6-7,10-11H2
InChIKeyBAUBNRSJKSWCRT-UHFFFAOYSA-N
XLogP24.57
TPSA268.76 Ų
H-Bond Donors8
H-Bond Acceptors20
Rotatable Bonds18
Heavy Atoms149
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002076.37
LogP ≤ 524.57
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1020

Analyze 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) 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
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-(2-bicyclo[2.2.2]octanyl)-2-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol;1-(2-bicyclo[2.2.2]oct-5-enyl)-2-[6-(trifluoromethyl)-5,10-dihydroimidazo[1,5-b]isoquinolin-5-yl]ethanol
CID 145402235
Bis(1-cyclohexyl-2-(10-fluoro-4,6,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaen-7-yl)ethanol);tetrakis(1-(4,4-difluorocyclohexyl)-2-(4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanol)
CID 157558543
1-Cyclohexyl-2-[10-(trifluoromethyl)-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl]ethanol;7-[2-(1-fluorocyclohexyl)ethyl]-10-(trifluoromethyl)-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene
CID 157571700
1-(4,4-Difluorocyclohexyl)-2-(4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanol;1-(4-fluoro-4-methylcyclohexyl)-2-(4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanol;methane
CID 157601543
4-[2,2-difluoro-2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]bicyclo[2.2.2]octan-1-ol;4-[2,2-difluoro-2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]cyclohexan-1-ol;3-[2-(5-fluoro-4H-imidazo[1,5-a]indol-4-yl)-1-hydroxyethyl]adamantan-1-ol;4-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]adamantan-1-ol;5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]adamantan-2-ol;4-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]bicyclo[2.2.2]octan-1-ol
CID 157645048

Frequently Asked Questions

What is the IUPAC name of 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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) is OC(CC1(C(F)(F)F)c2ccccc2-c2cncn21)C1CCCCC1.OC(CC1(C(F)(F)F)c2ccccc2-c2cncn21)C1CCCCC1.OC(CC1CCc2ccccc2-c2cncn21)C1CCCCC1.OC(CC1Cc2ccccc2-c2cncn21)C1CCCCC1.OC1CCC(C(O)CC2(C(F)(F)F)c3c(F)cccc3-c3cncn32)CC1.OC1CCC(C(O)CC2(C(F)(F)F)c3c(F)cccc3-c3cncn32)CC1.
What is the InChIKey of 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)?
The InChIKey is BAUBNRSJKSWCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O.2C19H20F4N2O2.2C19H21F3N2O.C19H24N2O/c23-20(16-7-2-1-3-8-16)12-17-11-10-15-6-4-5-9-18(15)19-13-21-14-22(17)19;2*20-14-3-1-2-13-15-9-24-10-25(15)18(17(13)14,19(21,22)23)8-16(27)11-4-6-12(26)7-5-11;2*20-19(21,22)18(10-17(25)13-6-2-1-3-7-13)15-9-5-4-8-14(15)16-11-23-12-24(16)18;22-19(14-6-2-1-3-7-14)11-16-10-15-8-4-5-9-17(15)18-12-20-13-21(16)18/h4-6,9,13-14,16-17,20,23H,1-3,7-8,10-12H2;2*1-3,9-12,16,26-27H,4-8H2;2*4-5,8-9,11-13,17,25H,1-3,6-7,10H2;4-5,8-9,12-14,16,19,22H,1-3,6-7,10-11H2.
What are the key properties of 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)?
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) has a molecular weight of 2076.37 g/mol, XLogP of 24.57, 18 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 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) is sourced from PubChem (CID 157290860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).