1-(1-methylimidazol-4-yl)-3-thiophen-2-ylpropan-1-ol

C11H14N2OS — CID 107978387

IUPAC1-(1-methylimidazol-4-yl)-3-thiophen-2-ylpropan-1-ol
SMILESCn1cnc(C(O)CCc2cccs2)c1
InChIInChI=1S/C11H14N2OS/c1-13-7-10(12-8-13)11(14)5-4-9-3-2-6-15-9/h2-3,6-8,11,14H,4-5H2,1H3
InChIKeyASHARILWAGWJIK-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.15
Rot. Bonds4

About 1-(1-methylimidazol-4-yl)-3-thiophen-2-ylpropan-1-ol

1-(1-methylimidazol-4-yl)-3-thiophen-2-ylpropan-1-ol (PubChem CID 107978387) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 1-(1-methylimidazol-4-yl)-3-thiophen-2-ylpropan-1-ol.

Molecular Properties

Compound Name1-(1-methylimidazol-4-yl)-3-thiophen-2-ylpropan-1-ol
PubChem CID107978387
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name1-(1-methylimidazol-4-yl)-3-thiophen-2-ylpropan-1-ol
SMILESCn1cnc(C(O)CCc2cccs2)c1
InChIInChI=1S/C11H14N2OS/c1-13-7-10(12-8-13)11(14)5-4-9-3-2-6-15-9/h2-3,6-8,11,14H,4-5H2,1H3
InChIKeyASHARILWAGWJIK-UHFFFAOYSA-N
XLogP2.15
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(1-methylimidazol-4-yl)-2-thiophen-2-ylethanamine
CID 107974380
5,5-dimethyl-1-thiophen-2-ylhexane-3,4-diol
CID 103457143
4-ethyl-1-thiophen-2-ylhexan-3-ol
CID 65148531
2-(5-ethylthiophen-2-yl)-1-(1-methylimidazol-4-yl)ethanol
CID 107978250
1-(3-cyclopropylimidazol-4-yl)-3-thiophen-2-ylpropan-1-ol
CID 66141448
1-(5-methyl-3-pyridinyl)-3-thiophen-2-ylpropan-1-ol
CID 105099292
1-(5-ethylthiophen-2-yl)-3-thiophen-2-ylpropan-1-ol
CID 65150040
5,6,6-trimethyl-1-thiophen-2-ylheptan-3-ol
CID 115800483
4-phenyl-1-thiophen-2-ylpentan-3-ol
CID 65149511
1-(2-methyltetrazol-5-yl)-2-thiophen-2-ylethanol
CID 127004646
1-(1,3-dimethylpyrazol-4-yl)-2-thiophen-2-ylethanol
CID 83091790
4-(aminomethyl)-5-methyl-1-thiophen-2-ylhexan-3-ol
CID 107443143

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-4-yl)-3-thiophen-2-ylpropan-1-ol?
The IUPAC name of 1-(1-methylimidazol-4-yl)-3-thiophen-2-ylpropan-1-ol (CID 107978387) is 1-(1-methylimidazol-4-yl)-3-thiophen-2-ylpropan-1-ol.
What is the SMILES notation for 1-(1-methylimidazol-4-yl)-3-thiophen-2-ylpropan-1-ol?
The canonical SMILES for 1-(1-methylimidazol-4-yl)-3-thiophen-2-ylpropan-1-ol is Cn1cnc(C(O)CCc2cccs2)c1.
What is the InChIKey of 1-(1-methylimidazol-4-yl)-3-thiophen-2-ylpropan-1-ol?
The InChIKey is ASHARILWAGWJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-13-7-10(12-8-13)11(14)5-4-9-3-2-6-15-9/h2-3,6-8,11,14H,4-5H2,1H3.
What are the key properties of 1-(1-methylimidazol-4-yl)-3-thiophen-2-ylpropan-1-ol?
1-(1-methylimidazol-4-yl)-3-thiophen-2-ylpropan-1-ol has a molecular weight of 222.31 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-4-yl)-3-thiophen-2-ylpropan-1-ol is sourced from PubChem (CID 107978387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).