4-[3-(1-benzothiophen-5-yl)imidazol-4-yl]piperidine

C16H17N3S — CID 114706284

IUPAC4-[3-(1-benzothiophen-5-yl)imidazol-4-yl]piperidine
SMILESc1cc2cc(-n3cncc3C3CCNCC3)ccc2s1
InChIInChI=1S/C16H17N3S/c1-2-16-13(5-8-20-16)9-14(1)19-11-18-10-15(19)12-3-6-17-7-4-12/h1-2,5,8-12,17H,3-4,6-7H2
InChIKeyZYOVTNXPNVCGMK-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.55
Rot. Bonds2

About 4-[3-(1-benzothiophen-5-yl)imidazol-4-yl]piperidine

4-[3-(1-benzothiophen-5-yl)imidazol-4-yl]piperidine (PubChem CID 114706284) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is 4-[3-(1-benzothiophen-5-yl)imidazol-4-yl]piperidine.

Molecular Properties

Compound Name4-[3-(1-benzothiophen-5-yl)imidazol-4-yl]piperidine
PubChem CID114706284
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC Name4-[3-(1-benzothiophen-5-yl)imidazol-4-yl]piperidine
SMILESc1cc2cc(-n3cncc3C3CCNCC3)ccc2s1
InChIInChI=1S/C16H17N3S/c1-2-16-13(5-8-20-16)9-14(1)19-11-18-10-15(19)12-3-6-17-7-4-12/h1-2,5,8-12,17H,3-4,6-7H2
InChIKeyZYOVTNXPNVCGMK-UHFFFAOYSA-N
XLogP3.55
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(1-benzothiophen-5-yl)imidazol-4-yl]-6-methylpiperidine
CID 114720722
4-[3-(2,3-dihydro-1H-inden-5-yl)imidazol-4-yl]piperidine
CID 114702984
4-[3-(4-chlorophenyl)imidazol-4-yl]piperidine
CID 114702647
4-[3-(4-bromo-3-methylphenyl)imidazol-4-yl]piperidine
CID 114703013
1-(3-iodophenyl)-5-pyrrolidin-3-ylimidazole
CID 114716120
4-[3-(4-bromo-2-methylphenyl)imidazol-4-yl]piperidine
CID 114703160
4-[3-(2,5-dimethylphenyl)imidazol-4-yl]piperidine
CID 114703213
4-[3-(2-fluorophenyl)imidazol-4-yl]piperidine
CID 114703452
1-(4-propan-2-ylphenyl)-5-pyrrolidin-3-ylimidazole
CID 114716402
1-(1-benzothiophen-5-yl)-1,4-diazepane
CID 65451922
1-(4-methylsulfonylphenyl)-5-pyrrolidin-3-ylimidazole
CID 114717611
6-[5-(azetidin-3-yl)imidazol-1-yl]quinoline
CID 114719931

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-benzothiophen-5-yl)imidazol-4-yl]piperidine?
The IUPAC name of 4-[3-(1-benzothiophen-5-yl)imidazol-4-yl]piperidine (CID 114706284) is 4-[3-(1-benzothiophen-5-yl)imidazol-4-yl]piperidine.
What is the SMILES notation for 4-[3-(1-benzothiophen-5-yl)imidazol-4-yl]piperidine?
The canonical SMILES for 4-[3-(1-benzothiophen-5-yl)imidazol-4-yl]piperidine is c1cc2cc(-n3cncc3C3CCNCC3)ccc2s1.
What is the InChIKey of 4-[3-(1-benzothiophen-5-yl)imidazol-4-yl]piperidine?
The InChIKey is ZYOVTNXPNVCGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-2-16-13(5-8-20-16)9-14(1)19-11-18-10-15(19)12-3-6-17-7-4-12/h1-2,5,8-12,17H,3-4,6-7H2.
What are the key properties of 4-[3-(1-benzothiophen-5-yl)imidazol-4-yl]piperidine?
4-[3-(1-benzothiophen-5-yl)imidazol-4-yl]piperidine has a molecular weight of 283.40 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-benzothiophen-5-yl)imidazol-4-yl]piperidine is sourced from PubChem (CID 114706284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).