2-[3-(1-benzothiophen-5-yl)imidazol-4-yl]-6-methylpiperidine

C17H19N3S — CID 114720722

IUPAC2-[3-(1-benzothiophen-5-yl)imidazol-4-yl]-6-methylpiperidine
SMILESCC1CCCC(c2cncn2-c2ccc3sccc3c2)N1
InChIInChI=1S/C17H19N3S/c1-12-3-2-4-15(19-12)16-10-18-11-20(16)14-5-6-17-13(9-14)7-8-21-17/h5-12,15,19H,2-4H2,1H3
InChIKeyZOQZBZXAPNYOMJ-UHFFFAOYSA-N
MW297.43 g/mol
LogP4.29
Rot. Bonds2

About 2-[3-(1-benzothiophen-5-yl)imidazol-4-yl]-6-methylpiperidine

2-[3-(1-benzothiophen-5-yl)imidazol-4-yl]-6-methylpiperidine (PubChem CID 114720722) has the molecular formula C17H19N3S and a molecular weight of 297.43 g/mol. Its IUPAC name is 2-[3-(1-benzothiophen-5-yl)imidazol-4-yl]-6-methylpiperidine.

Molecular Properties

Compound Name2-[3-(1-benzothiophen-5-yl)imidazol-4-yl]-6-methylpiperidine
PubChem CID114720722
Molecular FormulaC17H19N3S
Molecular Weight297.43 g/mol
Exact Mass297.13
IUPAC Name2-[3-(1-benzothiophen-5-yl)imidazol-4-yl]-6-methylpiperidine
SMILESCC1CCCC(c2cncn2-c2ccc3sccc3c2)N1
InChIInChI=1S/C17H19N3S/c1-12-3-2-4-15(19-12)16-10-18-11-20(16)14-5-6-17-13(9-14)7-8-21-17/h5-12,15,19H,2-4H2,1H3
InChIKeyZOQZBZXAPNYOMJ-UHFFFAOYSA-N
XLogP4.29
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(1-benzothiophen-5-yl)imidazol-4-yl]piperidine
CID 114706284
2-[3-(4-fluoro-3-methoxyphenyl)imidazol-4-yl]-6-methylpiperidine
CID 114841259
2-methyl-6-[3-(1-methylpyrazol-4-yl)imidazol-4-yl]piperidine
CID 114717939
2-[3-(3-chloro-5-fluorophenyl)imidazol-4-yl]-6-methylpiperidine
CID 107371278
2-[3-(4-bromo-2,3-dichlorophenyl)imidazol-4-yl]-6-methylpiperidine
CID 107795764
2-methyl-6-[3-(2-propylphenyl)imidazol-4-yl]piperidine
CID 114719236
2-[3-(dicyclopropylmethyl)imidazol-4-yl]-6-methylpiperidine
CID 114719576
2-methyl-6-[3-(2-methylcyclopentyl)imidazol-4-yl]piperidine
CID 114720496
2-[3-(2,2-difluoroethyl)imidazol-4-yl]-6-methylpiperidine
CID 114721475
2-[3-[(4-methoxyphenyl)methyl]imidazol-4-yl]-6-methylpiperidine
CID 114716493
1,4-dimethyl-2-[[5-(6-methylpiperidin-2-yl)imidazol-1-yl]methyl]piperazine
CID 114720756
2-[3-(2,2-dimethylcyclohexyl)imidazol-4-yl]-6-methylpiperidine
CID 114721223

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-benzothiophen-5-yl)imidazol-4-yl]-6-methylpiperidine?
The IUPAC name of 2-[3-(1-benzothiophen-5-yl)imidazol-4-yl]-6-methylpiperidine (CID 114720722) is 2-[3-(1-benzothiophen-5-yl)imidazol-4-yl]-6-methylpiperidine.
What is the SMILES notation for 2-[3-(1-benzothiophen-5-yl)imidazol-4-yl]-6-methylpiperidine?
The canonical SMILES for 2-[3-(1-benzothiophen-5-yl)imidazol-4-yl]-6-methylpiperidine is CC1CCCC(c2cncn2-c2ccc3sccc3c2)N1.
What is the InChIKey of 2-[3-(1-benzothiophen-5-yl)imidazol-4-yl]-6-methylpiperidine?
The InChIKey is ZOQZBZXAPNYOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3S/c1-12-3-2-4-15(19-12)16-10-18-11-20(16)14-5-6-17-13(9-14)7-8-21-17/h5-12,15,19H,2-4H2,1H3.
What are the key properties of 2-[3-(1-benzothiophen-5-yl)imidazol-4-yl]-6-methylpiperidine?
2-[3-(1-benzothiophen-5-yl)imidazol-4-yl]-6-methylpiperidine has a molecular weight of 297.43 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-benzothiophen-5-yl)imidazol-4-yl]-6-methylpiperidine is sourced from PubChem (CID 114720722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).