2-[3-[2-(5-bromothiophen-2-yl)ethyl]imidazol-4-yl]-6-methylpiperidine

C15H20BrN3S — CID 106041251

IUPAC2-[3-[2-(5-bromothiophen-2-yl)ethyl]imidazol-4-yl]-6-methylpiperidine
SMILESCC1CCCC(c2cncn2CCc2ccc(Br)s2)N1
InChIInChI=1S/C15H20BrN3S/c1-11-3-2-4-13(18-11)14-9-17-10-19(14)8-7-12-5-6-15(16)20-12/h5-6,9-11,13,18H,2-4,7-8H2,1H3
InChIKeyGIZJNAJADRUBKX-UHFFFAOYSA-N
MW354.32 g/mol
LogP4.15
Rot. Bonds4

About 2-[3-[2-(5-bromothiophen-2-yl)ethyl]imidazol-4-yl]-6-methylpiperidine

2-[3-[2-(5-bromothiophen-2-yl)ethyl]imidazol-4-yl]-6-methylpiperidine (PubChem CID 106041251) has the molecular formula C15H20BrN3S and a molecular weight of 354.32 g/mol. Its IUPAC name is 2-[3-[2-(5-bromothiophen-2-yl)ethyl]imidazol-4-yl]-6-methylpiperidine.

Molecular Properties

Compound Name2-[3-[2-(5-bromothiophen-2-yl)ethyl]imidazol-4-yl]-6-methylpiperidine
PubChem CID106041251
Molecular FormulaC15H20BrN3S
Molecular Weight354.32 g/mol
Exact Mass353.06
IUPAC Name2-[3-[2-(5-bromothiophen-2-yl)ethyl]imidazol-4-yl]-6-methylpiperidine
SMILESCC1CCCC(c2cncn2CCc2ccc(Br)s2)N1
InChIInChI=1S/C15H20BrN3S/c1-11-3-2-4-13(18-11)14-9-17-10-19(14)8-7-12-5-6-15(16)20-12/h5-6,9-11,13,18H,2-4,7-8H2,1H3
InChIKeyGIZJNAJADRUBKX-UHFFFAOYSA-N
XLogP4.15
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.32
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-[3-[2-(2-methylphenyl)ethyl]imidazol-4-yl]piperidine
CID 114721154
2-methyl-6-[3-(3-phenylpropyl)imidazol-4-yl]piperidine
CID 114718231
2-methyl-6-[3-(3-methylbutyl)imidazol-4-yl]piperidine
CID 114716386
2-[3-(2,2-difluoroethyl)imidazol-4-yl]-6-methylpiperidine
CID 114721475
N-ethyl-3-[5-(6-methylpiperidin-2-yl)imidazol-1-yl]propanamide
CID 114721853
N-(2-methoxyethyl)-N-methyl-2-[5-(6-methylpiperidin-2-yl)imidazol-1-yl]ethanamine
CID 114720032
N,N-dimethyl-2-[5-(6-methylpiperidin-2-yl)imidazol-1-yl]acetamide
CID 114715959
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-methyl-6-[3-[(2-methylthiolan-2-yl)methyl]imidazol-4-yl]piperidine
CID 114721451
2-methyl-6-[3-(2-methylcyclopentyl)imidazol-4-yl]piperidine
CID 114720496
2-methyl-6-[3-(2-methylcyclohexyl)imidazol-4-yl]piperidine
CID 114717087

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(5-bromothiophen-2-yl)ethyl]imidazol-4-yl]-6-methylpiperidine?
The IUPAC name of 2-[3-[2-(5-bromothiophen-2-yl)ethyl]imidazol-4-yl]-6-methylpiperidine (CID 106041251) is 2-[3-[2-(5-bromothiophen-2-yl)ethyl]imidazol-4-yl]-6-methylpiperidine.
What is the SMILES notation for 2-[3-[2-(5-bromothiophen-2-yl)ethyl]imidazol-4-yl]-6-methylpiperidine?
The canonical SMILES for 2-[3-[2-(5-bromothiophen-2-yl)ethyl]imidazol-4-yl]-6-methylpiperidine is CC1CCCC(c2cncn2CCc2ccc(Br)s2)N1.
What is the InChIKey of 2-[3-[2-(5-bromothiophen-2-yl)ethyl]imidazol-4-yl]-6-methylpiperidine?
The InChIKey is GIZJNAJADRUBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3S/c1-11-3-2-4-13(18-11)14-9-17-10-19(14)8-7-12-5-6-15(16)20-12/h5-6,9-11,13,18H,2-4,7-8H2,1H3.
What are the key properties of 2-[3-[2-(5-bromothiophen-2-yl)ethyl]imidazol-4-yl]-6-methylpiperidine?
2-[3-[2-(5-bromothiophen-2-yl)ethyl]imidazol-4-yl]-6-methylpiperidine has a molecular weight of 354.32 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(5-bromothiophen-2-yl)ethyl]imidazol-4-yl]-6-methylpiperidine is sourced from PubChem (CID 106041251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).