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

C18H17N3O2S — CID 75514070

IUPAC1-(1H-indol-4-yloxy)-3-(2-thiophen-2-ylimidazol-1-yl)propan-2-ol
SMILESOC(COc1cccc2[nH]ccc12)Cn1ccnc1-c1cccs1
InChIInChI=1S/C18H17N3O2S/c22-13(11-21-9-8-20-18(21)17-5-2-10-24-17)12-23-16-4-1-3-15-14(16)6-7-19-15/h1-10,13,19,22H,11-12H2
InChIKeySADDRYLKOSIDNB-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.53
Rot. Bonds6

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

1-(1H-indol-4-yloxy)-3-(2-thiophen-2-ylimidazol-1-yl)propan-2-ol (PubChem CID 75514070) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 1-(1H-indol-4-yloxy)-3-(2-thiophen-2-ylimidazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(1H-indol-4-yloxy)-3-(2-thiophen-2-ylimidazol-1-yl)propan-2-ol
PubChem CID75514070
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name1-(1H-indol-4-yloxy)-3-(2-thiophen-2-ylimidazol-1-yl)propan-2-ol
SMILESOC(COc1cccc2[nH]ccc12)Cn1ccnc1-c1cccs1
InChIInChI=1S/C18H17N3O2S/c22-13(11-21-9-8-20-18(21)17-5-2-10-24-17)12-23-16-4-1-3-15-14(16)6-7-19-15/h1-10,13,19,22H,11-12H2
InChIKeySADDRYLKOSIDNB-UHFFFAOYSA-N
XLogP3.53
TPSA63.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-(1H-indol-4-yloxy)-3-(2-propan-2-ylimidazol-1-yl)propan-2-ol
CID 97327080
1-chloro-3-(2-thiophen-2-ylimidazol-1-yl)propan-2-ol
CID 112560248
1-(1H-indol-4-yloxy)-3-(4-methyltriazol-1-yl)propan-2-ol
CID 138020555
1-(4-fluorophenyl)-2-(2-thiophen-2-ylimidazol-1-yl)ethanol
CID 109411319
1-(tert-butylamino)-3-(2-thiophen-2-ylimidazol-1-yl)propan-2-ol
CID 115475685
1-(2-bromo-3,3,3-trifluoropropyl)-2-thiophen-2-ylimidazole
CID 64756890
(2S)-1-(1H-indol-4-yloxy)-3-(5-methyl-3-nitropyrazol-1-yl)propan-2-ol
CID 99783327
1-naphthalen-1-yloxy-3-(2-pyrazin-2-ylimidazol-1-yl)propan-2-ol
CID 109411438
(2S)-1-[[(2S)-2-hydroxy-3-(1H-indol-4-yloxy)propyl]-propan-2-ylamino]-3-(1H-indol-4-yloxy)propan-2-ol
CID 95162634
2-hydroxy-3-(1H-indol-4-yloxy)propanoic acid
CID 13116553
2-[2-hydroxy-3-(1H-indol-4-yloxy)propoxy]benzonitrile
CID 75432801
(2R)-1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 172866223

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-4-yloxy)-3-(2-thiophen-2-ylimidazol-1-yl)propan-2-ol?
The IUPAC name of 1-(1H-indol-4-yloxy)-3-(2-thiophen-2-ylimidazol-1-yl)propan-2-ol (CID 75514070) is 1-(1H-indol-4-yloxy)-3-(2-thiophen-2-ylimidazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-(1H-indol-4-yloxy)-3-(2-thiophen-2-ylimidazol-1-yl)propan-2-ol?
The canonical SMILES for 1-(1H-indol-4-yloxy)-3-(2-thiophen-2-ylimidazol-1-yl)propan-2-ol is OC(COc1cccc2[nH]ccc12)Cn1ccnc1-c1cccs1.
What is the InChIKey of 1-(1H-indol-4-yloxy)-3-(2-thiophen-2-ylimidazol-1-yl)propan-2-ol?
The InChIKey is SADDRYLKOSIDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c22-13(11-21-9-8-20-18(21)17-5-2-10-24-17)12-23-16-4-1-3-15-14(16)6-7-19-15/h1-10,13,19,22H,11-12H2.
What are the key properties of 1-(1H-indol-4-yloxy)-3-(2-thiophen-2-ylimidazol-1-yl)propan-2-ol?
1-(1H-indol-4-yloxy)-3-(2-thiophen-2-ylimidazol-1-yl)propan-2-ol has a molecular weight of 339.42 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-4-yloxy)-3-(2-thiophen-2-ylimidazol-1-yl)propan-2-ol is sourced from PubChem (CID 75514070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).