1-methyl-4-[2-(4-phenyl-5-thiophen-3-ylimidazol-1-yl)ethyl]piperidin-4-ol

C21H25N3OS — CID 50978286

IUPAC1-methyl-4-[2-(4-phenyl-5-thiophen-3-ylimidazol-1-yl)ethyl]piperidin-4-ol
SMILESCN1CCC(O)(CCn2cnc(-c3ccccc3)c2-c2ccsc2)CC1
InChIInChI=1S/C21H25N3OS/c1-23-11-8-21(25,9-12-23)10-13-24-16-22-19(17-5-3-2-4-6-17)20(24)18-7-14-26-15-18/h2-7,14-16,25H,8-13H2,1H3
InChIKeyVUEYEDHNQDZETK-UHFFFAOYSA-N
MW367.52 g/mol
LogP4.13
Rot. Bonds5

About 1-methyl-4-[2-(4-phenyl-5-thiophen-3-ylimidazol-1-yl)ethyl]piperidin-4-ol

1-methyl-4-[2-(4-phenyl-5-thiophen-3-ylimidazol-1-yl)ethyl]piperidin-4-ol (PubChem CID 50978286) has the molecular formula C21H25N3OS and a molecular weight of 367.52 g/mol. Its IUPAC name is 1-methyl-4-[2-(4-phenyl-5-thiophen-3-ylimidazol-1-yl)ethyl]piperidin-4-ol.

Molecular Properties

Compound Name1-methyl-4-[2-(4-phenyl-5-thiophen-3-ylimidazol-1-yl)ethyl]piperidin-4-ol
PubChem CID50978286
Molecular FormulaC21H25N3OS
Molecular Weight367.52 g/mol
Exact Mass367.17
IUPAC Name1-methyl-4-[2-(4-phenyl-5-thiophen-3-ylimidazol-1-yl)ethyl]piperidin-4-ol
SMILESCN1CCC(O)(CCn2cnc(-c3ccccc3)c2-c2ccsc2)CC1
InChIInChI=1S/C21H25N3OS/c1-23-11-8-21(25,9-12-23)10-13-24-16-22-19(17-5-3-2-4-6-17)20(24)18-7-14-26-15-18/h2-7,14-16,25H,8-13H2,1H3
InChIKeyVUEYEDHNQDZETK-UHFFFAOYSA-N
XLogP4.13
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-methylphenyl)methyl]-4-(thiophen-3-yl)-1H-imidazole
CID 6539905
4-(2-Thienyl)-1-(4-Methylbenzyl)-1h-Imidazole
CID 446185
(S)-1-((5aR,6S)-1-(4-Fluorophenyl)-5a-methyl-5,5a,6,7,8,9-hexahydroimidazo[1,5-b]isoquinolin-6-yl)-1-(thiophen-3-yl)ethanol
CID 45486457
1-[(3-methylphenyl)methyl]-4-(thiophen-3-yl)-1H-imidazole
CID 6539907
(S)-1-((5aR,6S)-1-(4-Fluorophenyl)-5a-methyl-5,5a,6,7,8,9-hexahydroimidazo[1,5-b]isoquinolin-6-yl)-1-(3-methylthiophen-2-yl)-ethanol
CID 45486438
(S)-1-((5aR,6S)-1-(4-Fluorophenyl)-5a-methyl-5,5a,6,7,8,9-hexahydroimidazo[1,5-b]isoquinolin-6-yl)-1-(thiophen-2-yl)ethanol
CID 45486473
5-Imidazol-1-ylmethyl-2-thiophen-2-yl-pyridine
CID 57329792
3-Imidazol-1-ylmethyl-2-thiophen-2-yl-pyridine
CID 57329793
5-(1-(1H-imidazol-1-yl)ethyl)-2-(thiophen-3-yl)pyridine
CID 57330005
5-Imidazol-1-ylmethyl-2-thiophen-3-yl-pyridine
CID 67515607
Disubstituted imidazole 27
CID 6539909
1-[(2-methylphenyl)methyl]-4-(thiophen-3-yl)-1H-imidazole
CID 6539908

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(4-phenyl-5-thiophen-3-ylimidazol-1-yl)ethyl]piperidin-4-ol?
The IUPAC name of 1-methyl-4-[2-(4-phenyl-5-thiophen-3-ylimidazol-1-yl)ethyl]piperidin-4-ol (CID 50978286) is 1-methyl-4-[2-(4-phenyl-5-thiophen-3-ylimidazol-1-yl)ethyl]piperidin-4-ol.
What is the SMILES notation for 1-methyl-4-[2-(4-phenyl-5-thiophen-3-ylimidazol-1-yl)ethyl]piperidin-4-ol?
The canonical SMILES for 1-methyl-4-[2-(4-phenyl-5-thiophen-3-ylimidazol-1-yl)ethyl]piperidin-4-ol is CN1CCC(O)(CCn2cnc(-c3ccccc3)c2-c2ccsc2)CC1.
What is the InChIKey of 1-methyl-4-[2-(4-phenyl-5-thiophen-3-ylimidazol-1-yl)ethyl]piperidin-4-ol?
The InChIKey is VUEYEDHNQDZETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3OS/c1-23-11-8-21(25,9-12-23)10-13-24-16-22-19(17-5-3-2-4-6-17)20(24)18-7-14-26-15-18/h2-7,14-16,25H,8-13H2,1H3.
What are the key properties of 1-methyl-4-[2-(4-phenyl-5-thiophen-3-ylimidazol-1-yl)ethyl]piperidin-4-ol?
1-methyl-4-[2-(4-phenyl-5-thiophen-3-ylimidazol-1-yl)ethyl]piperidin-4-ol has a molecular weight of 367.52 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-(4-phenyl-5-thiophen-3-ylimidazol-1-yl)ethyl]piperidin-4-ol is sourced from PubChem (CID 50978286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).