1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(2-ethylimidazol-1-yl)propan-2-ol

C17H23N3O — CID 109411205

IUPAC1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(2-ethylimidazol-1-yl)propan-2-ol
SMILESCCc1nccn1CC(O)CN1CCc2ccccc2C1
InChIInChI=1S/C17H23N3O/c1-2-17-18-8-10-20(17)13-16(21)12-19-9-7-14-5-3-4-6-15(14)11-19/h3-6,8,10,16,21H,2,7,9,11-13H2,1H3
InChIKeyHSJGBBMKYJSTDN-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.86
Rot. Bonds5

About 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(2-ethylimidazol-1-yl)propan-2-ol

1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(2-ethylimidazol-1-yl)propan-2-ol (PubChem CID 109411205) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(2-ethylimidazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(2-ethylimidazol-1-yl)propan-2-ol
PubChem CID109411205
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(2-ethylimidazol-1-yl)propan-2-ol
SMILESCCc1nccn1CC(O)CN1CCc2ccccc2C1
InChIInChI=1S/C17H23N3O/c1-2-17-18-8-10-20(17)13-16(21)12-19-9-7-14-5-3-4-6-15(14)11-19/h3-6,8,10,16,21H,2,7,9,11-13H2,1H3
InChIKeyHSJGBBMKYJSTDN-UHFFFAOYSA-N
XLogP1.86
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(1-ethylimidazol-2-yl)methoxy]propan-2-ol
CID 90335262
(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[2-[(1R)-1-ethoxyethyl]imidazol-1-yl]propan-2-ol
CID 97327110
(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyrazol-1-ylpropan-2-ol
CID 94177110
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(2-ethylimidazol-1-yl)propanamide;formic acid
CID 154912251
(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 39238520
(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-methylindol-1-yl)propan-2-ol
CID 177371282
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-ethylphenoxy)propan-2-ol
CID 4084169
(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(2-ethylimidazol-1-yl)ethyl]propanamide
CID 124750560
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyridin-2-ylpyrazol-1-yl)propan-2-ol
CID 167840449
(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-ethoxyphenoxy)propan-2-ol
CID 2381176
(2R)-1-(5,6-difluorobenzimidazol-1-yl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 52538537
(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[6-(methylamino)purin-7-yl]propan-2-ol
CID 95770668

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(2-ethylimidazol-1-yl)propan-2-ol?
The IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(2-ethylimidazol-1-yl)propan-2-ol (CID 109411205) is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(2-ethylimidazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(2-ethylimidazol-1-yl)propan-2-ol?
The canonical SMILES for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(2-ethylimidazol-1-yl)propan-2-ol is CCc1nccn1CC(O)CN1CCc2ccccc2C1.
What is the InChIKey of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(2-ethylimidazol-1-yl)propan-2-ol?
The InChIKey is HSJGBBMKYJSTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-2-17-18-8-10-20(17)13-16(21)12-19-9-7-14-5-3-4-6-15(14)11-19/h3-6,8,10,16,21H,2,7,9,11-13H2,1H3.
What are the key properties of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(2-ethylimidazol-1-yl)propan-2-ol?
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(2-ethylimidazol-1-yl)propan-2-ol has a molecular weight of 285.39 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(2-ethylimidazol-1-yl)propan-2-ol is sourced from PubChem (CID 109411205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).