(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[2-[(1R)-1-ethoxyethyl]imidazol-1-yl]propan-2-ol

C19H27N3O2 — CID 97327110

IUPAC(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[2-[(1R)-1-ethoxyethyl]imidazol-1-yl]propan-2-ol
SMILESCCO[C@H](C)c1nccn1C[C@H](O)CN1CCc2ccccc2C1
InChIInChI=1S/C19H27N3O2/c1-3-24-15(2)19-20-9-11-22(19)14-18(23)13-21-10-8-16-6-4-5-7-17(16)12-21/h4-7,9,11,15,18,23H,3,8,10,12-14H2,1-2H3/t15-,18-/m1/s1
InChIKeyIEVRDFMROOKJLB-CRAIPNDOSA-N
MW329.44 g/mol
LogP2.40
Rot. Bonds7

About (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[2-[(1R)-1-ethoxyethyl]imidazol-1-yl]propan-2-ol

(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[2-[(1R)-1-ethoxyethyl]imidazol-1-yl]propan-2-ol (PubChem CID 97327110) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[2-[(1R)-1-ethoxyethyl]imidazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[2-[(1R)-1-ethoxyethyl]imidazol-1-yl]propan-2-ol
PubChem CID97327110
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[2-[(1R)-1-ethoxyethyl]imidazol-1-yl]propan-2-ol
SMILESCCO[C@H](C)c1nccn1C[C@H](O)CN1CCc2ccccc2C1
InChIInChI=1S/C19H27N3O2/c1-3-24-15(2)19-20-9-11-22(19)14-18(23)13-21-10-8-16-6-4-5-7-17(16)12-21/h4-7,9,11,15,18,23H,3,8,10,12-14H2,1-2H3/t15-,18-/m1/s1
InChIKeyIEVRDFMROOKJLB-CRAIPNDOSA-N
XLogP2.40
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(2-ethylimidazol-1-yl)propan-2-ol
CID 109411205
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-pyrazol-1-ylpropan-2-ol
CID 94177110
1-[2-(1-ethoxyethyl)imidazol-1-yl]-3-[2-(trifluoromethyl)phenyl]propan-2-ol
CID 109411507
(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-ethoxyphenoxy)propan-2-ol
CID 2381176
(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
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyridin-2-ylpyrazol-1-yl)propan-2-ol
CID 167840449
(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(2,6-dimethylphenoxy)propan-2-ol
CID 829797
(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(2-methoxyphenoxy)propan-2-ol
CID 40840923
(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(2-methoxyphenoxy)propan-2-ol
CID 40840925

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[2-[(1R)-1-ethoxyethyl]imidazol-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[2-[(1R)-1-ethoxyethyl]imidazol-1-yl]propan-2-ol (CID 97327110) is (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[2-[(1R)-1-ethoxyethyl]imidazol-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[2-[(1R)-1-ethoxyethyl]imidazol-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[2-[(1R)-1-ethoxyethyl]imidazol-1-yl]propan-2-ol is CCO[C@H](C)c1nccn1C[C@H](O)CN1CCc2ccccc2C1.
What is the InChIKey of (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[2-[(1R)-1-ethoxyethyl]imidazol-1-yl]propan-2-ol?
The InChIKey is IEVRDFMROOKJLB-CRAIPNDOSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-3-24-15(2)19-20-9-11-22(19)14-18(23)13-21-10-8-16-6-4-5-7-17(16)12-21/h4-7,9,11,15,18,23H,3,8,10,12-14H2,1-2H3/t15-,18-/m1/s1.
What are the key properties of (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[2-[(1R)-1-ethoxyethyl]imidazol-1-yl]propan-2-ol?
(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[2-[(1R)-1-ethoxyethyl]imidazol-1-yl]propan-2-ol has a molecular weight of 329.44 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[2-[(1R)-1-ethoxyethyl]imidazol-1-yl]propan-2-ol is sourced from PubChem (CID 97327110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).