1-(3-aminophenyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol

C18H17N3O — CID 89052951

IUPAC1-(3-aminophenyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol
SMILESNc1cccc(C(O)CC2c3ccccc3-c3cncn32)c1
InChIInChI=1S/C18H17N3O/c19-13-5-3-4-12(8-13)18(22)9-16-14-6-1-2-7-15(14)17-10-20-11-21(16)17/h1-8,10-11,16,18,22H,9,19H2
InChIKeyXKHZICCQURTELE-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.16
Rot. Bonds3

About 1-(3-aminophenyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol

1-(3-aminophenyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol (PubChem CID 89052951) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-(3-aminophenyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol.

Molecular Properties

Compound Name1-(3-aminophenyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol
PubChem CID89052951
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name1-(3-aminophenyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol
SMILESNc1cccc(C(O)CC2c3ccccc3-c3cncn32)c1
InChIInChI=1S/C18H17N3O/c19-13-5-3-4-12(8-13)18(22)9-16-14-6-1-2-7-15(14)17-10-20-11-21(16)17/h1-8,10-11,16,18,22H,9,19H2
InChIKeyXKHZICCQURTELE-UHFFFAOYSA-N
XLogP3.16
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

trans-4-((1R)-2-((5S)-6-Fluoro-5H-imidazo(5,1-a)isoindol-5-yl)-1-hydroxyethyl)cyclohexanol
CID 70914230
Nlg919
CID 66558287
(1~{r})-1-Cyclohexyl-2-[(5~{s})-5~{h}-Imidazo[1,5-B]isoindol-5-Yl]ethanol
CID 70874783
1-cyclohexyl-2-(4H-imidazo[1,5-a]indol-4-yl)ethanol
CID 78426054
4-(1,1-Difluoro-2-[6-fluoro-5H-imidazo[4,3-a]isoindol-5-yl]ethyl)cyclohexan-1-ol
CID 118917109
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
CID 118917121
1,5-anhydro-2,3-dideoxy-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-D-threo-pentitol
CID 129282689
[2-[4-(Aminomethyl)-3-methylbenzimidazol-5-yl]phenyl]methanol
CID 11708771
2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol
CID 66558199
US10233190, Example 1385
CID 66558379
(1S)-1-cyclohexyl-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol
CID 66558554
US10233190, Example 1449
CID 66558639

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol?
The IUPAC name of 1-(3-aminophenyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol (CID 89052951) is 1-(3-aminophenyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol.
What is the SMILES notation for 1-(3-aminophenyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol?
The canonical SMILES for 1-(3-aminophenyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol is Nc1cccc(C(O)CC2c3ccccc3-c3cncn32)c1.
What is the InChIKey of 1-(3-aminophenyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol?
The InChIKey is XKHZICCQURTELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c19-13-5-3-4-12(8-13)18(22)9-16-14-6-1-2-7-15(14)17-10-20-11-21(16)17/h1-8,10-11,16,18,22H,9,19H2.
What are the key properties of 1-(3-aminophenyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol?
1-(3-aminophenyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol has a molecular weight of 291.35 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol is sourced from PubChem (CID 89052951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).