3-imidazol-1-yl-1-thiophen-2-ylpropan-1-ol

C10H12N2OS — CID 53232024

IUPAC3-imidazol-1-yl-1-thiophen-2-ylpropan-1-ol
SMILESOC(CCn1ccnc1)c1cccs1
InChIInChI=1S/C10H12N2OS/c13-9(10-2-1-7-14-10)3-5-12-6-4-11-8-12/h1-2,4,6-9,13H,3,5H2
InChIKeyXRGRORDAQZAPFK-UHFFFAOYSA-N
MW208.29 g/mol
LogP2.07
Rot. Bonds4

About 3-imidazol-1-yl-1-thiophen-2-ylpropan-1-ol

3-imidazol-1-yl-1-thiophen-2-ylpropan-1-ol (PubChem CID 53232024) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is 3-imidazol-1-yl-1-thiophen-2-ylpropan-1-ol.

Molecular Properties

Compound Name3-imidazol-1-yl-1-thiophen-2-ylpropan-1-ol
PubChem CID53232024
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name3-imidazol-1-yl-1-thiophen-2-ylpropan-1-ol
SMILESOC(CCn1ccnc1)c1cccs1
InChIInChI=1S/C10H12N2OS/c13-9(10-2-1-7-14-10)3-5-12-6-4-11-8-12/h1-2,4,6-9,13H,3,5H2
InChIKeyXRGRORDAQZAPFK-UHFFFAOYSA-N
XLogP2.07
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R)-5-fluoro-2-(imidazol-1-ylmethyl)-2,3-dihydro-1-benzothiophen-3-ol
CID 10586768
(2R,3R)-6-fluoro-2-(imidazol-1-ylmethyl)-2,3-dihydro-1-benzothiophen-3-ol
CID 10658322
(1-methyl-1H-imidazol-2-yl)(2-thienyl)methanol
CID 4424199
(S)-3-(1-methyl-4-imidazolylsulfonylamino)-1-(2-thienyl)-1-propanol
CID 97355179
3-[(1-Methylimidazol-2-yl)methylamino]-1-thiophen-2-ylbutan-1-ol
CID 75436142
(2S,3S)-5-fluoro-2-(imidazol-1-ylmethyl)-2,3-dihydro-1-benzothiophen-3-ol
CID 54407807
(2S,3S)-6-fluoro-2-(imidazol-1-ylmethyl)-2,3-dihydro-1-benzothiophen-3-ol
CID 54562416
5-Fluoro-2-(imidazol-1-ylmethyl)-2,3-dihydro-1-benzothiophen-3-ol
CID 70351355
6-Fluoro-2-(imidazol-1-ylmethyl)-2,3-dihydro-1-benzothiophen-3-ol
CID 70351731
(3-Fluorothiophen-2-yl)-(1-methylimidazol-4-yl)methanol
CID 130594776
1-Methyl-3-octylimidazol-1-ium;4,4,4-trifluoro-3-oxo-1-thiophen-2-ylbut-1-en-1-olate
CID 169442417
{1-[(1-ethyl-1H-imidazol-2-yl)methyl]piperidin-4-yl}(2-thienyl)methanol
CID 50964447

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-1-thiophen-2-ylpropan-1-ol?
The IUPAC name of 3-imidazol-1-yl-1-thiophen-2-ylpropan-1-ol (CID 53232024) is 3-imidazol-1-yl-1-thiophen-2-ylpropan-1-ol.
What is the SMILES notation for 3-imidazol-1-yl-1-thiophen-2-ylpropan-1-ol?
The canonical SMILES for 3-imidazol-1-yl-1-thiophen-2-ylpropan-1-ol is OC(CCn1ccnc1)c1cccs1.
What is the InChIKey of 3-imidazol-1-yl-1-thiophen-2-ylpropan-1-ol?
The InChIKey is XRGRORDAQZAPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c13-9(10-2-1-7-14-10)3-5-12-6-4-11-8-12/h1-2,4,6-9,13H,3,5H2.
What are the key properties of 3-imidazol-1-yl-1-thiophen-2-ylpropan-1-ol?
3-imidazol-1-yl-1-thiophen-2-ylpropan-1-ol has a molecular weight of 208.29 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-1-thiophen-2-ylpropan-1-ol is sourced from PubChem (CID 53232024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).