2-(5-thiophen-2-yl-1H-imidazol-2-yl)butan-1-ol

C11H14N2OS — CID 116882842

IUPAC2-(5-thiophen-2-yl-1H-imidazol-2-yl)butan-1-ol
SMILESCCC(CO)c1ncc(-c2cccs2)[nH]1
InChIInChI=1S/C11H14N2OS/c1-2-8(7-14)11-12-6-9(13-11)10-4-3-5-15-10/h3-6,8,14H,2,7H2,1H3,(H,12,13)
InChIKeyDVAVBYZJICCLLJ-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.62
Rot. Bonds4

About 2-(5-thiophen-2-yl-1H-imidazol-2-yl)butan-1-ol

2-(5-thiophen-2-yl-1H-imidazol-2-yl)butan-1-ol (PubChem CID 116882842) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 2-(5-thiophen-2-yl-1H-imidazol-2-yl)butan-1-ol.

Molecular Properties

Compound Name2-(5-thiophen-2-yl-1H-imidazol-2-yl)butan-1-ol
PubChem CID116882842
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name2-(5-thiophen-2-yl-1H-imidazol-2-yl)butan-1-ol
SMILESCCC(CO)c1ncc(-c2cccs2)[nH]1
InChIInChI=1S/C11H14N2OS/c1-2-8(7-14)11-12-6-9(13-11)10-4-3-5-15-10/h3-6,8,14H,2,7H2,1H3,(H,12,13)
InChIKeyDVAVBYZJICCLLJ-UHFFFAOYSA-N
XLogP2.62
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-thiophen-2-yl-1H-imidazol-2-yl)butan-1-ol?
The IUPAC name of 2-(5-thiophen-2-yl-1H-imidazol-2-yl)butan-1-ol (CID 116882842) is 2-(5-thiophen-2-yl-1H-imidazol-2-yl)butan-1-ol.
What is the SMILES notation for 2-(5-thiophen-2-yl-1H-imidazol-2-yl)butan-1-ol?
The canonical SMILES for 2-(5-thiophen-2-yl-1H-imidazol-2-yl)butan-1-ol is CCC(CO)c1ncc(-c2cccs2)[nH]1.
What is the InChIKey of 2-(5-thiophen-2-yl-1H-imidazol-2-yl)butan-1-ol?
The InChIKey is DVAVBYZJICCLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-2-8(7-14)11-12-6-9(13-11)10-4-3-5-15-10/h3-6,8,14H,2,7H2,1H3,(H,12,13).
What are the key properties of 2-(5-thiophen-2-yl-1H-imidazol-2-yl)butan-1-ol?
2-(5-thiophen-2-yl-1H-imidazol-2-yl)butan-1-ol has a molecular weight of 222.31 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-thiophen-2-yl-1H-imidazol-2-yl)butan-1-ol is sourced from PubChem (CID 116882842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).