4-(1H-imidazol-5-ylmethoxy)-1-[(5-thiophen-2-ylthiophen-2-yl)methyl]piperidine

C18H21N3OS2 — CID 11439803

IUPAC4-(1H-imidazol-5-ylmethoxy)-1-[(5-thiophen-2-ylthiophen-2-yl)methyl]piperidine
SMILESc1csc(-c2ccc(CN3CCC(OCc4cnc[nH]4)CC3)s2)c1
InChIInChI=1S/C18H21N3OS2/c1-2-17(23-9-1)18-4-3-16(24-18)11-21-7-5-15(6-8-21)22-12-14-10-19-13-20-14/h1-4,9-10,13,15H,5-8,11-12H2,(H,19,20)
InChIKeyGFRQEPKVKLBPRY-UHFFFAOYSA-N
MW359.52 g/mol
LogP4.38
Rot. Bonds6

About 4-(1H-imidazol-5-ylmethoxy)-1-[(5-thiophen-2-ylthiophen-2-yl)methyl]piperidine

4-(1H-imidazol-5-ylmethoxy)-1-[(5-thiophen-2-ylthiophen-2-yl)methyl]piperidine (PubChem CID 11439803) has the molecular formula C18H21N3OS2 and a molecular weight of 359.52 g/mol. Its IUPAC name is 4-(1H-imidazol-5-ylmethoxy)-1-[(5-thiophen-2-ylthiophen-2-yl)methyl]piperidine.

Molecular Properties

Compound Name4-(1H-imidazol-5-ylmethoxy)-1-[(5-thiophen-2-ylthiophen-2-yl)methyl]piperidine
PubChem CID11439803
Molecular FormulaC18H21N3OS2
Molecular Weight359.52 g/mol
Exact Mass359.11
IUPAC Name4-(1H-imidazol-5-ylmethoxy)-1-[(5-thiophen-2-ylthiophen-2-yl)methyl]piperidine
SMILESc1csc(-c2ccc(CN3CCC(OCc4cnc[nH]4)CC3)s2)c1
InChIInChI=1S/C18H21N3OS2/c1-2-17(23-9-1)18-4-3-16(24-18)11-21-7-5-15(6-8-21)22-12-14-10-19-13-20-14/h1-4,9-10,13,15H,5-8,11-12H2,(H,19,20)
InChIKeyGFRQEPKVKLBPRY-UHFFFAOYSA-N
XLogP4.38
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(1H-imidazol-4-yl)ethyl]-2-[5-(tetrahydro-2H-pyran-2-yl)-2-thienyl]-1H-imidazole
CID 56740342
4-(1H-imidazol-5-ylmethoxy)-1-[(5-methylsulfanylthiophen-2-yl)methyl]piperidine
CID 11186376
4-(1H-imidazol-5-ylmethoxy)-1-[[4-(2-phenylethynyl)thiophen-2-yl]methyl]piperidine
CID 11222655
3-[[4-(1H-imidazol-5-ylmethoxy)piperidin-1-yl]methyl]thiophene-2-carbonitrile
CID 11243580
1-[(3-bromothiophen-2-yl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine
CID 11279727
4-(1H-imidazol-5-ylmethoxy)-1-(thiophen-3-ylmethyl)piperidine
CID 11288932
4-(1H-imidazol-5-ylmethoxy)-1-[(5-methylthiophen-2-yl)methyl]piperidine
CID 11392180
1-[(5-ethylthiophen-2-yl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine
CID 11392584
1-[(5-chlorothiophen-2-yl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine
CID 11392794
4-(1H-imidazol-5-ylmethoxy)-1-[(3-methylthiophen-2-yl)methyl]piperidine
CID 11426331
1-(1-benzothiophen-3-ylmethyl)-4-(1H-imidazol-5-ylmethoxy)piperidine
CID 11427407
1-[(3-Bromo-2-thienyl)methyl]-4-[(5-methyl-1H-imidazol-4-yl)methoxy]-piperidine
CID 11428655

Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-5-ylmethoxy)-1-[(5-thiophen-2-ylthiophen-2-yl)methyl]piperidine?
The IUPAC name of 4-(1H-imidazol-5-ylmethoxy)-1-[(5-thiophen-2-ylthiophen-2-yl)methyl]piperidine (CID 11439803) is 4-(1H-imidazol-5-ylmethoxy)-1-[(5-thiophen-2-ylthiophen-2-yl)methyl]piperidine.
What is the SMILES notation for 4-(1H-imidazol-5-ylmethoxy)-1-[(5-thiophen-2-ylthiophen-2-yl)methyl]piperidine?
The canonical SMILES for 4-(1H-imidazol-5-ylmethoxy)-1-[(5-thiophen-2-ylthiophen-2-yl)methyl]piperidine is c1csc(-c2ccc(CN3CCC(OCc4cnc[nH]4)CC3)s2)c1.
What is the InChIKey of 4-(1H-imidazol-5-ylmethoxy)-1-[(5-thiophen-2-ylthiophen-2-yl)methyl]piperidine?
The InChIKey is GFRQEPKVKLBPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3OS2/c1-2-17(23-9-1)18-4-3-16(24-18)11-21-7-5-15(6-8-21)22-12-14-10-19-13-20-14/h1-4,9-10,13,15H,5-8,11-12H2,(H,19,20).
What are the key properties of 4-(1H-imidazol-5-ylmethoxy)-1-[(5-thiophen-2-ylthiophen-2-yl)methyl]piperidine?
4-(1H-imidazol-5-ylmethoxy)-1-[(5-thiophen-2-ylthiophen-2-yl)methyl]piperidine has a molecular weight of 359.52 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-5-ylmethoxy)-1-[(5-thiophen-2-ylthiophen-2-yl)methyl]piperidine is sourced from PubChem (CID 11439803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).