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

C11H13IN2O2S — CID 86815395

IUPAC1-(2-iodoimidazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESOC(COCc1cccs1)Cn1ccnc1I
InChIInChI=1S/C11H13IN2O2S/c12-11-13-3-4-14(11)6-9(15)7-16-8-10-2-1-5-17-10/h1-5,9,15H,6-8H2
InChIKeyDZHIVLNZTJXGNE-UHFFFAOYSA-N
MW364.21 g/mol
LogP2.13
Rot. Bonds6

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

1-(2-iodoimidazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol (PubChem CID 86815395) has the molecular formula C11H13IN2O2S and a molecular weight of 364.21 g/mol. Its IUPAC name is 1-(2-iodoimidazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2-iodoimidazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
PubChem CID86815395
Molecular FormulaC11H13IN2O2S
Molecular Weight364.21 g/mol
Exact Mass363.97
IUPAC Name1-(2-iodoimidazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESOC(COCc1cccs1)Cn1ccnc1I
InChIInChI=1S/C11H13IN2O2S/c12-11-13-3-4-14(11)6-9(15)7-16-8-10-2-1-5-17-10/h1-5,9,15H,6-8H2
InChIKeyDZHIVLNZTJXGNE-UHFFFAOYSA-N
XLogP2.13
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.21
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-iodoimidazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol?
The IUPAC name of 1-(2-iodoimidazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol (CID 86815395) is 1-(2-iodoimidazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-(2-iodoimidazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-(2-iodoimidazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol is OC(COCc1cccs1)Cn1ccnc1I.
What is the InChIKey of 1-(2-iodoimidazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol?
The InChIKey is DZHIVLNZTJXGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13IN2O2S/c12-11-13-3-4-14(11)6-9(15)7-16-8-10-2-1-5-17-10/h1-5,9,15H,6-8H2.
What are the key properties of 1-(2-iodoimidazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol?
1-(2-iodoimidazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol has a molecular weight of 364.21 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iodoimidazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 86815395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).