[3-(1-thiophen-3-ylpropan-2-yl)imidazol-4-yl]methanol

C11H14N2OS — CID 66150617

IUPAC[3-(1-thiophen-3-ylpropan-2-yl)imidazol-4-yl]methanol
SMILESCC(Cc1ccsc1)n1cncc1CO
InChIInChI=1S/C11H14N2OS/c1-9(4-10-2-3-15-7-10)13-8-12-5-11(13)6-14/h2-3,5,7-9,14H,4,6H2,1H3
InChIKeyKLUSNLJZFFQGHF-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.24
Rot. Bonds4

About [3-(1-thiophen-3-ylpropan-2-yl)imidazol-4-yl]methanol

[3-(1-thiophen-3-ylpropan-2-yl)imidazol-4-yl]methanol (PubChem CID 66150617) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is [3-(1-thiophen-3-ylpropan-2-yl)imidazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(1-thiophen-3-ylpropan-2-yl)imidazol-4-yl]methanol
PubChem CID66150617
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name[3-(1-thiophen-3-ylpropan-2-yl)imidazol-4-yl]methanol
SMILESCC(Cc1ccsc1)n1cncc1CO
InChIInChI=1S/C11H14N2OS/c1-9(4-10-2-3-15-7-10)13-8-12-5-11(13)6-14/h2-3,5,7-9,14H,4,6H2,1H3
InChIKeyKLUSNLJZFFQGHF-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[3-(1-thiophen-3-ylpropan-2-yl)imidazol-4-yl]methyl]propan-1-amine
CID 66146542
1-(3-propan-2-ylimidazol-4-yl)-2-thiophen-3-ylethanol
CID 66162635
[3-(4-methylpentan-2-yl)imidazol-4-yl]methanol
CID 66151234
4-(1-thiophen-3-ylpropan-2-yl)-1H-1,2,4-triazole-5-thione
CID 61474669
1-methyl-5-(thiophen-3-ylmethyl)imidazole
CID 59037611
3-methyl-1-thiophen-3-ylbutan-2-ol
CID 62605936
1-thiophen-3-ylbutane-2,3-diol
CID 103452838
3-[(2S)-2,3-dimethylbutyl]thiophene
CID 130210876
1-(1-thiophen-3-ylpropan-2-yl)benzimidazole-5-carboxylic acid
CID 61477345
3-[(2R)-1-thiophen-3-ylpropan-2-yl]pteridin-4-one
CID 39818742
N-[[3-(thiophen-3-ylmethyl)imidazol-4-yl]methyl]propan-2-amine
CID 66150573
4-methyl-1-thiophen-3-ylpentane-2,3-diol
CID 103456677

Frequently Asked Questions

What is the IUPAC name of [3-(1-thiophen-3-ylpropan-2-yl)imidazol-4-yl]methanol?
The IUPAC name of [3-(1-thiophen-3-ylpropan-2-yl)imidazol-4-yl]methanol (CID 66150617) is [3-(1-thiophen-3-ylpropan-2-yl)imidazol-4-yl]methanol.
What is the SMILES notation for [3-(1-thiophen-3-ylpropan-2-yl)imidazol-4-yl]methanol?
The canonical SMILES for [3-(1-thiophen-3-ylpropan-2-yl)imidazol-4-yl]methanol is CC(Cc1ccsc1)n1cncc1CO.
What is the InChIKey of [3-(1-thiophen-3-ylpropan-2-yl)imidazol-4-yl]methanol?
The InChIKey is KLUSNLJZFFQGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-9(4-10-2-3-15-7-10)13-8-12-5-11(13)6-14/h2-3,5,7-9,14H,4,6H2,1H3.
What are the key properties of [3-(1-thiophen-3-ylpropan-2-yl)imidazol-4-yl]methanol?
[3-(1-thiophen-3-ylpropan-2-yl)imidazol-4-yl]methanol has a molecular weight of 222.31 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-thiophen-3-ylpropan-2-yl)imidazol-4-yl]methanol is sourced from PubChem (CID 66150617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).