(2R)-1-(1H-indol-4-yloxy)-3-(2-propan-2-ylimidazol-1-yl)propan-2-ol

C17H21N3O2 — CID 97327080

IUPAC(2R)-1-(1H-indol-4-yloxy)-3-(2-propan-2-ylimidazol-1-yl)propan-2-ol
SMILESCC(C)c1nccn1C[C@@H](O)COc1cccc2[nH]ccc12
InChIInChI=1S/C17H21N3O2/c1-12(2)17-19-8-9-20(17)10-13(21)11-22-16-5-3-4-15-14(16)6-7-18-15/h3-9,12-13,18,21H,10-11H2,1-2H3/t13-/m1/s1
InChIKeyVEYQQKRFFFFMNR-CYBMUJFWSA-N
MW299.37 g/mol
LogP2.93
Rot. Bonds6

About (2R)-1-(1H-indol-4-yloxy)-3-(2-propan-2-ylimidazol-1-yl)propan-2-ol

(2R)-1-(1H-indol-4-yloxy)-3-(2-propan-2-ylimidazol-1-yl)propan-2-ol (PubChem CID 97327080) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is (2R)-1-(1H-indol-4-yloxy)-3-(2-propan-2-ylimidazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(1H-indol-4-yloxy)-3-(2-propan-2-ylimidazol-1-yl)propan-2-ol
PubChem CID97327080
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name(2R)-1-(1H-indol-4-yloxy)-3-(2-propan-2-ylimidazol-1-yl)propan-2-ol
SMILESCC(C)c1nccn1C[C@@H](O)COc1cccc2[nH]ccc12
InChIInChI=1S/C17H21N3O2/c1-12(2)17-19-8-9-20(17)10-13(21)11-22-16-5-3-4-15-14(16)6-7-18-15/h3-9,12-13,18,21H,10-11H2,1-2H3/t13-/m1/s1
InChIKeyVEYQQKRFFFFMNR-CYBMUJFWSA-N
XLogP2.93
TPSA63.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-1-(1H-indol-4-yloxy)-3-(2-propan-2-ylimidazol-1-yl)propan-2-ol with MolForge

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Related Compounds

1-(1H-indol-4-yloxy)-3-(2-thiophen-2-ylimidazol-1-yl)propan-2-ol
CID 75514070
(2S)-1-(2-methylphenoxy)-3-(2-propan-2-ylimidazol-1-yl)propan-2-ol
CID 125135773
1-(2-propan-2-ylimidazol-1-yl)-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 109411232
1-(1H-indol-4-yloxy)-3-(4-methyltriazol-1-yl)propan-2-ol
CID 138020555
(2S)-1-[[(2S)-2-hydroxy-3-(1H-indol-4-yloxy)propyl]-propan-2-ylamino]-3-(1H-indol-4-yloxy)propan-2-ol
CID 95162634
(2R)-1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 172866223
1-(butan-2-ylamino)-3-(1H-indol-4-yloxy)propan-2-ol
CID 12790151
1-(4-ethylphenoxy)-3-(2-propan-2-ylimidazol-1-yl)propan-2-ol
CID 109411239
(2S)-1-(1H-indol-4-yloxy)-3-(5-methyl-3-nitropyrazol-1-yl)propan-2-ol
CID 99783327
2-hydroxy-3-(1H-indol-4-yloxy)propanoic acid
CID 13116553
1-[2-(1-ethoxyethyl)imidazol-1-yl]-3-(2-methylphenoxy)propan-2-ol
CID 109411477
2-[2-hydroxy-3-(1H-indol-4-yloxy)propoxy]benzonitrile
CID 75432801

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1H-indol-4-yloxy)-3-(2-propan-2-ylimidazol-1-yl)propan-2-ol?
The IUPAC name of (2R)-1-(1H-indol-4-yloxy)-3-(2-propan-2-ylimidazol-1-yl)propan-2-ol (CID 97327080) is (2R)-1-(1H-indol-4-yloxy)-3-(2-propan-2-ylimidazol-1-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-(1H-indol-4-yloxy)-3-(2-propan-2-ylimidazol-1-yl)propan-2-ol?
The canonical SMILES for (2R)-1-(1H-indol-4-yloxy)-3-(2-propan-2-ylimidazol-1-yl)propan-2-ol is CC(C)c1nccn1C[C@@H](O)COc1cccc2[nH]ccc12.
What is the InChIKey of (2R)-1-(1H-indol-4-yloxy)-3-(2-propan-2-ylimidazol-1-yl)propan-2-ol?
The InChIKey is VEYQQKRFFFFMNR-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12(2)17-19-8-9-20(17)10-13(21)11-22-16-5-3-4-15-14(16)6-7-18-15/h3-9,12-13,18,21H,10-11H2,1-2H3/t13-/m1/s1.
What are the key properties of (2R)-1-(1H-indol-4-yloxy)-3-(2-propan-2-ylimidazol-1-yl)propan-2-ol?
(2R)-1-(1H-indol-4-yloxy)-3-(2-propan-2-ylimidazol-1-yl)propan-2-ol has a molecular weight of 299.37 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(1H-indol-4-yloxy)-3-(2-propan-2-ylimidazol-1-yl)propan-2-ol is sourced from PubChem (CID 97327080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).