[1-[2-(benzimidazol-1-yl)ethyl]piperidin-4-yl]-thiophen-2-ylmethanol

C19H23N3OS — CID 135103272

IUPAC[1-[2-(benzimidazol-1-yl)ethyl]piperidin-4-yl]-thiophen-2-ylmethanol
SMILESOC(c1cccs1)C1CCN(CCn2cnc3ccccc32)CC1
InChIInChI=1S/C19H23N3OS/c23-19(18-6-3-13-24-18)15-7-9-21(10-8-15)11-12-22-14-20-16-4-1-2-5-17(16)22/h1-6,13-15,19,23H,7-12H2
InChIKeyJRFHDTAEVMBSIZ-UHFFFAOYSA-N
MW341.48 g/mol
LogP3.54
Rot. Bonds5

About [1-[2-(benzimidazol-1-yl)ethyl]piperidin-4-yl]-thiophen-2-ylmethanol

[1-[2-(benzimidazol-1-yl)ethyl]piperidin-4-yl]-thiophen-2-ylmethanol (PubChem CID 135103272) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is [1-[2-(benzimidazol-1-yl)ethyl]piperidin-4-yl]-thiophen-2-ylmethanol.

Molecular Properties

Compound Name[1-[2-(benzimidazol-1-yl)ethyl]piperidin-4-yl]-thiophen-2-ylmethanol
PubChem CID135103272
Molecular FormulaC19H23N3OS
Molecular Weight341.48 g/mol
Exact Mass341.16
IUPAC Name[1-[2-(benzimidazol-1-yl)ethyl]piperidin-4-yl]-thiophen-2-ylmethanol
SMILESOC(c1cccs1)C1CCN(CCn2cnc3ccccc32)CC1
InChIInChI=1S/C19H23N3OS/c23-19(18-6-3-13-24-18)15-7-9-21(10-8-15)11-12-22-14-20-16-4-1-2-5-17(16)22/h1-6,13-15,19,23H,7-12H2
InChIKeyJRFHDTAEVMBSIZ-UHFFFAOYSA-N
XLogP3.54
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(benzimidazol-1-yl)-1-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]ethanone
CID 90603321
(R)-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol
CID 95128111
[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol
CID 135106200
N-[2-(benzimidazol-1-yl)ethyl]thiophene-2-carboxamide
CID 51091236
cyclopentyl(thiophen-2-yl)methanol
CID 43753540
2-(benzimidazol-1-yl)-1-cyclopentylethanol
CID 113449219
(4aS,8aS)-2-[3-(benzimidazol-1-yl)propyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 29209446
5-[3-(benzimidazol-1-yl)propylamino]-5-oxo-3-thiophen-2-ylpentanoic acid
CID 91953280
2-(benzimidazol-1-yl)-1-cyclohexylethanol
CID 113449220
1-[2-(3-pyridin-2-ylazetidin-1-yl)ethyl]benzimidazole
CID 118763615
[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-4-yl]-thiophen-2-ylmethanol
CID 50952555
1-[4-[4-(2-chlorophenyl)piperidin-1-yl]butyl]benzimidazole
CID 118386910

Frequently Asked Questions

What is the IUPAC name of [1-[2-(benzimidazol-1-yl)ethyl]piperidin-4-yl]-thiophen-2-ylmethanol?
The IUPAC name of [1-[2-(benzimidazol-1-yl)ethyl]piperidin-4-yl]-thiophen-2-ylmethanol (CID 135103272) is [1-[2-(benzimidazol-1-yl)ethyl]piperidin-4-yl]-thiophen-2-ylmethanol.
What is the SMILES notation for [1-[2-(benzimidazol-1-yl)ethyl]piperidin-4-yl]-thiophen-2-ylmethanol?
The canonical SMILES for [1-[2-(benzimidazol-1-yl)ethyl]piperidin-4-yl]-thiophen-2-ylmethanol is OC(c1cccs1)C1CCN(CCn2cnc3ccccc32)CC1.
What is the InChIKey of [1-[2-(benzimidazol-1-yl)ethyl]piperidin-4-yl]-thiophen-2-ylmethanol?
The InChIKey is JRFHDTAEVMBSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3OS/c23-19(18-6-3-13-24-18)15-7-9-21(10-8-15)11-12-22-14-20-16-4-1-2-5-17(16)22/h1-6,13-15,19,23H,7-12H2.
What are the key properties of [1-[2-(benzimidazol-1-yl)ethyl]piperidin-4-yl]-thiophen-2-ylmethanol?
[1-[2-(benzimidazol-1-yl)ethyl]piperidin-4-yl]-thiophen-2-ylmethanol has a molecular weight of 341.48 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(benzimidazol-1-yl)ethyl]piperidin-4-yl]-thiophen-2-ylmethanol is sourced from PubChem (CID 135103272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).