3-[2-(1H-imidazol-2-yl)ethyl]-2-thiophen-2-ylbenzimidazol-4-ol

C16H14N4OS — CID 67360204

IUPAC3-[2-(1H-imidazol-2-yl)ethyl]-2-thiophen-2-ylbenzimidazol-4-ol
SMILESOc1cccc2nc(-c3cccs3)n(CCc3ncc[nH]3)c12
InChIInChI=1S/C16H14N4OS/c21-12-4-1-3-11-15(12)20(9-6-14-17-7-8-18-14)16(19-11)13-5-2-10-22-13/h1-5,7-8,10,21H,6,9H2,(H,17,18)
InChIKeyQZHDYOFFGLDUMQ-UHFFFAOYSA-N
MW310.38 g/mol
LogP3.44
Rot. Bonds4

About 3-[2-(1H-imidazol-2-yl)ethyl]-2-thiophen-2-ylbenzimidazol-4-ol

3-[2-(1H-imidazol-2-yl)ethyl]-2-thiophen-2-ylbenzimidazol-4-ol (PubChem CID 67360204) has the molecular formula C16H14N4OS and a molecular weight of 310.38 g/mol. Its IUPAC name is 3-[2-(1H-imidazol-2-yl)ethyl]-2-thiophen-2-ylbenzimidazol-4-ol.

Molecular Properties

Compound Name3-[2-(1H-imidazol-2-yl)ethyl]-2-thiophen-2-ylbenzimidazol-4-ol
PubChem CID67360204
Molecular FormulaC16H14N4OS
Molecular Weight310.38 g/mol
Exact Mass310.09
IUPAC Name3-[2-(1H-imidazol-2-yl)ethyl]-2-thiophen-2-ylbenzimidazol-4-ol
SMILESOc1cccc2nc(-c3cccs3)n(CCc3ncc[nH]3)c12
InChIInChI=1S/C16H14N4OS/c21-12-4-1-3-11-15(12)20(9-6-14-17-7-8-18-14)16(19-11)13-5-2-10-22-13/h1-5,7-8,10,21H,6,9H2,(H,17,18)
InChIKeyQZHDYOFFGLDUMQ-UHFFFAOYSA-N
XLogP3.44
TPSA66.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(1H-imidazol-2-yl)ethyl]-2-thiophen-2-ylbenzimidazol-4-ol?
The IUPAC name of 3-[2-(1H-imidazol-2-yl)ethyl]-2-thiophen-2-ylbenzimidazol-4-ol (CID 67360204) is 3-[2-(1H-imidazol-2-yl)ethyl]-2-thiophen-2-ylbenzimidazol-4-ol.
What is the SMILES notation for 3-[2-(1H-imidazol-2-yl)ethyl]-2-thiophen-2-ylbenzimidazol-4-ol?
The canonical SMILES for 3-[2-(1H-imidazol-2-yl)ethyl]-2-thiophen-2-ylbenzimidazol-4-ol is Oc1cccc2nc(-c3cccs3)n(CCc3ncc[nH]3)c12.
What is the InChIKey of 3-[2-(1H-imidazol-2-yl)ethyl]-2-thiophen-2-ylbenzimidazol-4-ol?
The InChIKey is QZHDYOFFGLDUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4OS/c21-12-4-1-3-11-15(12)20(9-6-14-17-7-8-18-14)16(19-11)13-5-2-10-22-13/h1-5,7-8,10,21H,6,9H2,(H,17,18).
What are the key properties of 3-[2-(1H-imidazol-2-yl)ethyl]-2-thiophen-2-ylbenzimidazol-4-ol?
3-[2-(1H-imidazol-2-yl)ethyl]-2-thiophen-2-ylbenzimidazol-4-ol has a molecular weight of 310.38 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1H-imidazol-2-yl)ethyl]-2-thiophen-2-ylbenzimidazol-4-ol is sourced from PubChem (CID 67360204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).