1-(2-propan-2-ylimidazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol

C14H20N2O2S — CID 109411242

IUPAC1-(2-propan-2-ylimidazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESCC(C)c1nccn1CC(O)COCc1cccs1
InChIInChI=1S/C14H20N2O2S/c1-11(2)14-15-5-6-16(14)8-12(17)9-18-10-13-4-3-7-19-13/h3-7,11-12,17H,8-10H2,1-2H3
InChIKeyJPTUVXKDLDIDQJ-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.65
Rot. Bonds7

About 1-(2-propan-2-ylimidazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol

1-(2-propan-2-ylimidazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol (PubChem CID 109411242) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-(2-propan-2-ylimidazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2-propan-2-ylimidazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
PubChem CID109411242
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name1-(2-propan-2-ylimidazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESCC(C)c1nccn1CC(O)COCc1cccs1
InChIInChI=1S/C14H20N2O2S/c1-11(2)14-15-5-6-16(14)8-12(17)9-18-10-13-4-3-7-19-13/h3-7,11-12,17H,8-10H2,1-2H3
InChIKeyJPTUVXKDLDIDQJ-UHFFFAOYSA-N
XLogP2.65
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-iodoimidazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 86815395
1-[4-(2-hydroxypropyl)piperazin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 56802833
1-(1-methylimidazol-2-yl)sulfanyl-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 110879206
(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
(2S)-1-(azepan-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 2381133
1-(4-ethylphenoxy)-3-(2-propan-2-ylimidazol-1-yl)propan-2-ol
CID 109411239
3-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 36519787
3-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 71899170
(2R)-1-morpholin-4-yl-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 2359827
1-(3-phenylpyrazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 75432701
1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 75432639

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-ylimidazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol?
The IUPAC name of 1-(2-propan-2-ylimidazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol (CID 109411242) is 1-(2-propan-2-ylimidazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-(2-propan-2-ylimidazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-(2-propan-2-ylimidazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol is CC(C)c1nccn1CC(O)COCc1cccs1.
What is the InChIKey of 1-(2-propan-2-ylimidazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol?
The InChIKey is JPTUVXKDLDIDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-11(2)14-15-5-6-16(14)8-12(17)9-18-10-13-4-3-7-19-13/h3-7,11-12,17H,8-10H2,1-2H3.
What are the key properties of 1-(2-propan-2-ylimidazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol?
1-(2-propan-2-ylimidazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol has a molecular weight of 280.39 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-ylimidazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 109411242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).