4-[1-hydroxy-2-(2-thiophen-2-ylimidazol-1-yl)ethyl]benzonitrile

C16H13N3OS — CID 109411315

IUPAC4-[1-hydroxy-2-(2-thiophen-2-ylimidazol-1-yl)ethyl]benzonitrile
SMILESN#Cc1ccc(C(O)Cn2ccnc2-c2cccs2)cc1
InChIInChI=1S/C16H13N3OS/c17-10-12-3-5-13(6-4-12)14(20)11-19-8-7-18-16(19)15-2-1-9-21-15/h1-9,14,20H,11H2
InChIKeyLINFMGBFOIDXNP-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.22
Rot. Bonds4

About 4-[1-hydroxy-2-(2-thiophen-2-ylimidazol-1-yl)ethyl]benzonitrile

4-[1-hydroxy-2-(2-thiophen-2-ylimidazol-1-yl)ethyl]benzonitrile (PubChem CID 109411315) has the molecular formula C16H13N3OS and a molecular weight of 295.37 g/mol. Its IUPAC name is 4-[1-hydroxy-2-(2-thiophen-2-ylimidazol-1-yl)ethyl]benzonitrile.

Molecular Properties

Compound Name4-[1-hydroxy-2-(2-thiophen-2-ylimidazol-1-yl)ethyl]benzonitrile
PubChem CID109411315
Molecular FormulaC16H13N3OS
Molecular Weight295.37 g/mol
Exact Mass295.08
IUPAC Name4-[1-hydroxy-2-(2-thiophen-2-ylimidazol-1-yl)ethyl]benzonitrile
SMILESN#Cc1ccc(C(O)Cn2ccnc2-c2cccs2)cc1
InChIInChI=1S/C16H13N3OS/c17-10-12-3-5-13(6-4-12)14(20)11-19-8-7-18-16(19)15-2-1-9-21-15/h1-9,14,20H,11H2
InChIKeyLINFMGBFOIDXNP-UHFFFAOYSA-N
XLogP3.22
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-2-(2-thiophen-2-ylimidazol-1-yl)ethanol
CID 109411319
1-chloro-3-(2-thiophen-2-ylimidazol-1-yl)propan-2-ol
CID 112560248
1-(tert-butylamino)-3-(2-thiophen-2-ylimidazol-1-yl)propan-2-ol
CID 115475685
1-(2-bromo-3,3,3-trifluoropropyl)-2-thiophen-2-ylimidazole
CID 64756890
2-methyl-3-(2-thiophen-2-ylimidazol-1-yl)propanehydrazide
CID 63582623
2,2-dimethyl-4-(2-thiophen-2-ylimidazol-1-yl)butanenitrile
CID 65256857
4-(1-hydroxy-2-thiophen-2-ylethyl)benzonitrile
CID 115481022
N-propyl-1-(2-thiophen-2-ylimidazol-1-yl)butan-2-amine
CID 62041227
6-(2-thiophen-2-ylimidazol-1-yl)hexan-1-ol
CID 113353810
4-(2-thiophen-2-ylimidazol-1-yl)pentan-2-ol
CID 64719272
1-(3-methylbut-3-enyl)-2-thiophen-2-ylimidazole
CID 114476766
1-(4-methylpentyl)-2-thiophen-2-ylimidazole
CID 116621649

Frequently Asked Questions

What is the IUPAC name of 4-[1-hydroxy-2-(2-thiophen-2-ylimidazol-1-yl)ethyl]benzonitrile?
The IUPAC name of 4-[1-hydroxy-2-(2-thiophen-2-ylimidazol-1-yl)ethyl]benzonitrile (CID 109411315) is 4-[1-hydroxy-2-(2-thiophen-2-ylimidazol-1-yl)ethyl]benzonitrile.
What is the SMILES notation for 4-[1-hydroxy-2-(2-thiophen-2-ylimidazol-1-yl)ethyl]benzonitrile?
The canonical SMILES for 4-[1-hydroxy-2-(2-thiophen-2-ylimidazol-1-yl)ethyl]benzonitrile is N#Cc1ccc(C(O)Cn2ccnc2-c2cccs2)cc1.
What is the InChIKey of 4-[1-hydroxy-2-(2-thiophen-2-ylimidazol-1-yl)ethyl]benzonitrile?
The InChIKey is LINFMGBFOIDXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS/c17-10-12-3-5-13(6-4-12)14(20)11-19-8-7-18-16(19)15-2-1-9-21-15/h1-9,14,20H,11H2.
What are the key properties of 4-[1-hydroxy-2-(2-thiophen-2-ylimidazol-1-yl)ethyl]benzonitrile?
4-[1-hydroxy-2-(2-thiophen-2-ylimidazol-1-yl)ethyl]benzonitrile has a molecular weight of 295.37 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-hydroxy-2-(2-thiophen-2-ylimidazol-1-yl)ethyl]benzonitrile is sourced from PubChem (CID 109411315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).