1-(3-cyclopropylimidazol-4-yl)-2-thiophen-2-ylethanol

C12H14N2OS — CID 66139860

IUPAC1-(3-cyclopropylimidazol-4-yl)-2-thiophen-2-ylethanol
SMILESOC(Cc1cccs1)c1cncn1C1CC1
InChIInChI=1S/C12H14N2OS/c15-12(6-10-2-1-5-16-10)11-7-13-8-14(11)9-3-4-9/h1-2,5,7-9,12,15H,3-4,6H2
InChIKeyAQBRXTATABPYOP-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.56
Rot. Bonds4

About 1-(3-cyclopropylimidazol-4-yl)-2-thiophen-2-ylethanol

1-(3-cyclopropylimidazol-4-yl)-2-thiophen-2-ylethanol (PubChem CID 66139860) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 1-(3-cyclopropylimidazol-4-yl)-2-thiophen-2-ylethanol.

Molecular Properties

Compound Name1-(3-cyclopropylimidazol-4-yl)-2-thiophen-2-ylethanol
PubChem CID66139860
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name1-(3-cyclopropylimidazol-4-yl)-2-thiophen-2-ylethanol
SMILESOC(Cc1cccs1)c1cncn1C1CC1
InChIInChI=1S/C12H14N2OS/c15-12(6-10-2-1-5-16-10)11-7-13-8-14(11)9-3-4-9/h1-2,5,7-9,12,15H,3-4,6H2
InChIKeyAQBRXTATABPYOP-UHFFFAOYSA-N
XLogP2.56
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-cyclopropylimidazol-4-yl)-3-thiophen-2-ylpropan-1-ol
CID 66141448
1-(3-cyclopropylimidazol-4-yl)-2-(4-methylphenyl)ethanol
CID 66142465
1-(3-cyclopropylimidazol-4-yl)-2-(4-propan-2-ylphenyl)ethanol
CID 66139864
1-(3-cyclopropylimidazol-4-yl)-3-methylbutan-1-ol
CID 66141454
3-amino-1-(3-cyclopropylimidazol-4-yl)propan-1-ol
CID 79126295
3-(3-cyclopropylimidazol-4-yl)-3-hydroxypropanoic acid
CID 66142482
2-amino-1-(3-cyclobutylimidazol-4-yl)ethanol
CID 83875789
1-(3-cyclopropylimidazol-4-yl)-2-ethoxyethanol
CID 79567273
1-(3-cyclopropylimidazol-4-yl)-2-(1-ethylimidazol-2-yl)ethanol
CID 79744805
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-cyclopropylimidazol-4-yl)ethanol
CID 66140648
3-(3-cyclopropylimidazol-4-yl)-2-thiophen-2-ylprop-2-enoic acid
CID 77113620
1-(1-methylpyrazol-4-yl)-2-thiophen-2-ylethanol
CID 62501851

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropylimidazol-4-yl)-2-thiophen-2-ylethanol?
The IUPAC name of 1-(3-cyclopropylimidazol-4-yl)-2-thiophen-2-ylethanol (CID 66139860) is 1-(3-cyclopropylimidazol-4-yl)-2-thiophen-2-ylethanol.
What is the SMILES notation for 1-(3-cyclopropylimidazol-4-yl)-2-thiophen-2-ylethanol?
The canonical SMILES for 1-(3-cyclopropylimidazol-4-yl)-2-thiophen-2-ylethanol is OC(Cc1cccs1)c1cncn1C1CC1.
What is the InChIKey of 1-(3-cyclopropylimidazol-4-yl)-2-thiophen-2-ylethanol?
The InChIKey is AQBRXTATABPYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c15-12(6-10-2-1-5-16-10)11-7-13-8-14(11)9-3-4-9/h1-2,5,7-9,12,15H,3-4,6H2.
What are the key properties of 1-(3-cyclopropylimidazol-4-yl)-2-thiophen-2-ylethanol?
1-(3-cyclopropylimidazol-4-yl)-2-thiophen-2-ylethanol has a molecular weight of 234.32 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropylimidazol-4-yl)-2-thiophen-2-ylethanol is sourced from PubChem (CID 66139860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).