2-(3-imidazol-1-ylpropyl)-4,5,6,7-tetrahydroisoindol-4-ol

C14H19N3O — CID 83208473

IUPAC2-(3-imidazol-1-ylpropyl)-4,5,6,7-tetrahydroisoindol-4-ol
SMILESOC1CCCc2cn(CCCn3ccnc3)cc21
InChIInChI=1S/C14H19N3O/c18-14-4-1-3-12-9-17(10-13(12)14)7-2-6-16-8-5-15-11-16/h5,8-11,14,18H,1-4,6-7H2
InChIKeyBONJQKWRTAXVLW-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.14
Rot. Bonds4

About 2-(3-imidazol-1-ylpropyl)-4,5,6,7-tetrahydroisoindol-4-ol

2-(3-imidazol-1-ylpropyl)-4,5,6,7-tetrahydroisoindol-4-ol (PubChem CID 83208473) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-(3-imidazol-1-ylpropyl)-4,5,6,7-tetrahydroisoindol-4-ol.

Molecular Properties

Compound Name2-(3-imidazol-1-ylpropyl)-4,5,6,7-tetrahydroisoindol-4-ol
PubChem CID83208473
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-(3-imidazol-1-ylpropyl)-4,5,6,7-tetrahydroisoindol-4-ol
SMILESOC1CCCc2cn(CCCn3ccnc3)cc21
InChIInChI=1S/C14H19N3O/c18-14-4-1-3-12-9-17(10-13(12)14)7-2-6-16-8-5-15-11-16/h5,8-11,14,18H,1-4,6-7H2
InChIKeyBONJQKWRTAXVLW-UHFFFAOYSA-N
XLogP2.14
TPSA42.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-(3-imidazol-1-ylpropyl)-4,5,6,7-tetrahydroisoindol-4-amine
CID 83214118
2-(2-imidazol-1-ylethyl)-4,5,6,7-tetrahydroisoindol-4-amine
CID 83213019
2-(4-methoxybutyl)-4,5,6,7-tetrahydroisoindol-4-ol
CID 104648646
4-(4-hydroxy-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl)butanenitrile
CID 83209165
2-(3-hydroxy-3-methylbutyl)-4,5,6,7-tetrahydroisoindol-4-ol
CID 83208367
2-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
CID 83208640
2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-ol
CID 83207793
2-prop-2-ynyl-4,5,6,7-tetrahydroisoindol-4-ol
CID 83208920
2-[(3,5-difluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-ol
CID 105405060
2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4,5,6,7-tetrahydroisoindol-4-ol
CID 104565395
2-(3-phenoxypropyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
CID 83211529
2-(2-morpholin-4-ylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
CID 83208064

Frequently Asked Questions

What is the IUPAC name of 2-(3-imidazol-1-ylpropyl)-4,5,6,7-tetrahydroisoindol-4-ol?
The IUPAC name of 2-(3-imidazol-1-ylpropyl)-4,5,6,7-tetrahydroisoindol-4-ol (CID 83208473) is 2-(3-imidazol-1-ylpropyl)-4,5,6,7-tetrahydroisoindol-4-ol.
What is the SMILES notation for 2-(3-imidazol-1-ylpropyl)-4,5,6,7-tetrahydroisoindol-4-ol?
The canonical SMILES for 2-(3-imidazol-1-ylpropyl)-4,5,6,7-tetrahydroisoindol-4-ol is OC1CCCc2cn(CCCn3ccnc3)cc21.
What is the InChIKey of 2-(3-imidazol-1-ylpropyl)-4,5,6,7-tetrahydroisoindol-4-ol?
The InChIKey is BONJQKWRTAXVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c18-14-4-1-3-12-9-17(10-13(12)14)7-2-6-16-8-5-15-11-16/h5,8-11,14,18H,1-4,6-7H2.
What are the key properties of 2-(3-imidazol-1-ylpropyl)-4,5,6,7-tetrahydroisoindol-4-ol?
2-(3-imidazol-1-ylpropyl)-4,5,6,7-tetrahydroisoindol-4-ol has a molecular weight of 245.33 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-imidazol-1-ylpropyl)-4,5,6,7-tetrahydroisoindol-4-ol is sourced from PubChem (CID 83208473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).