1-(1,2-benzothiazol-5-yl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol

C19H15N3OS — CID 134339527

IUPAC1-(1,2-benzothiazol-5-yl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol
SMILESOC(CC1c2ccccc2-c2cncn21)c1ccc2sncc2c1
InChIInChI=1S/C19H15N3OS/c23-18(12-5-6-19-13(7-12)9-21-24-19)8-16-14-3-1-2-4-15(14)17-10-20-11-22(16)17/h1-7,9-11,16,18,23H,8H2
InChIKeyHAVVEPSSKXPLJO-UHFFFAOYSA-N
MW333.42 g/mol
LogP4.19
Rot. Bonds3

About 1-(1,2-benzothiazol-5-yl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol

1-(1,2-benzothiazol-5-yl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol (PubChem CID 134339527) has the molecular formula C19H15N3OS and a molecular weight of 333.42 g/mol. Its IUPAC name is 1-(1,2-benzothiazol-5-yl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol.

Molecular Properties

Compound Name1-(1,2-benzothiazol-5-yl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol
PubChem CID134339527
Molecular FormulaC19H15N3OS
Molecular Weight333.42 g/mol
Exact Mass333.09
IUPAC Name1-(1,2-benzothiazol-5-yl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol
SMILESOC(CC1c2ccccc2-c2cncn21)c1ccc2sncc2c1
InChIInChI=1S/C19H15N3OS/c23-18(12-5-6-19-13(7-12)9-21-24-19)8-16-14-3-1-2-4-15(14)17-10-20-11-22(16)17/h1-7,9-11,16,18,23H,8H2
InChIKeyHAVVEPSSKXPLJO-UHFFFAOYSA-N
XLogP4.19
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(2-phenyl-1-benzofuran-5-yl)ethanol
CID 134339562
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol
CID 142300346
2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(1,3-thiazol-5-yl)ethanol
CID 70874895
2-[5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-2-nitrophenyl]propanedioic acid
CID 151136324
2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(1H-imidazol-2-yl)ethanol
CID 66558971
(1S)-1-(2-adamantyl)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol
CID 122499160
4-[2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-nitrosoethyl]aniline
CID 118857926
5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]bicyclo[3.2.2]nonane-1-carboxylic acid
CID 145402383
1-[4-(difluoromethylidene)cyclohexyl]-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol
CID 70874445
(1R)-1-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]propan-1-ol;(1S)-1-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]propan-1-ol;(1R)-1-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]propan-1-ol;(1S)-1-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]propan-1-ol
CID 157478620
5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]bicyclo[3.2.2]nonane-1-carboxamide
CID 145402215
4-[(1R)-1-hydroxy-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidine-1-carboxylic acid
CID 118690862

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-benzothiazol-5-yl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol?
The IUPAC name of 1-(1,2-benzothiazol-5-yl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol (CID 134339527) is 1-(1,2-benzothiazol-5-yl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol.
What is the SMILES notation for 1-(1,2-benzothiazol-5-yl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol?
The canonical SMILES for 1-(1,2-benzothiazol-5-yl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol is OC(CC1c2ccccc2-c2cncn21)c1ccc2sncc2c1.
What is the InChIKey of 1-(1,2-benzothiazol-5-yl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol?
The InChIKey is HAVVEPSSKXPLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3OS/c23-18(12-5-6-19-13(7-12)9-21-24-19)8-16-14-3-1-2-4-15(14)17-10-20-11-22(16)17/h1-7,9-11,16,18,23H,8H2.
What are the key properties of 1-(1,2-benzothiazol-5-yl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol?
1-(1,2-benzothiazol-5-yl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol has a molecular weight of 333.42 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-benzothiazol-5-yl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol is sourced from PubChem (CID 134339527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).