2-[3-(3-chloro-5-fluorophenyl)imidazol-4-yl]-6-methylpiperidine

C15H17ClFN3 — CID 107371278

IUPAC2-[3-(3-chloro-5-fluorophenyl)imidazol-4-yl]-6-methylpiperidine
SMILESCC1CCCC(c2cncn2-c2cc(F)cc(Cl)c2)N1
InChIInChI=1S/C15H17ClFN3/c1-10-3-2-4-14(19-10)15-8-18-9-20(15)13-6-11(16)5-12(17)7-13/h5-10,14,19H,2-4H2,1H3
InChIKeyHTCRYVFTODUQIM-UHFFFAOYSA-N
MW293.77 g/mol
LogP3.87
Rot. Bonds2

About 2-[3-(3-chloro-5-fluorophenyl)imidazol-4-yl]-6-methylpiperidine

2-[3-(3-chloro-5-fluorophenyl)imidazol-4-yl]-6-methylpiperidine (PubChem CID 107371278) has the molecular formula C15H17ClFN3 and a molecular weight of 293.77 g/mol. Its IUPAC name is 2-[3-(3-chloro-5-fluorophenyl)imidazol-4-yl]-6-methylpiperidine.

Molecular Properties

Compound Name2-[3-(3-chloro-5-fluorophenyl)imidazol-4-yl]-6-methylpiperidine
PubChem CID107371278
Molecular FormulaC15H17ClFN3
Molecular Weight293.77 g/mol
Exact Mass293.11
IUPAC Name2-[3-(3-chloro-5-fluorophenyl)imidazol-4-yl]-6-methylpiperidine
SMILESCC1CCCC(c2cncn2-c2cc(F)cc(Cl)c2)N1
InChIInChI=1S/C15H17ClFN3/c1-10-3-2-4-14(19-10)15-8-18-9-20(15)13-6-11(16)5-12(17)7-13/h5-10,14,19H,2-4H2,1H3
InChIKeyHTCRYVFTODUQIM-UHFFFAOYSA-N
XLogP3.87
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-(4-bromo-2,3-dichlorophenyl)imidazol-4-yl]-6-methylpiperidine
CID 107795764
2-[3-(1-benzothiophen-5-yl)imidazol-4-yl]-6-methylpiperidine
CID 114720722
2-[3-(2,2-difluoroethyl)imidazol-4-yl]-6-methylpiperidine
CID 114721475
2-methyl-6-[3-(2-methylcyclohexyl)imidazol-4-yl]piperidine
CID 114717087
2-[3-[1-(3-chlorophenyl)ethyl]imidazol-4-yl]-6-methylpiperidine
CID 114719041
2-[3-(dicyclopropylmethyl)imidazol-4-yl]-6-methylpiperidine
CID 114719576
2-methyl-6-[3-(2-methylcyclopentyl)imidazol-4-yl]piperidine
CID 114720496
2-methyl-6-[3-(2-propylphenyl)imidazol-4-yl]piperidine
CID 114719236
N,N-dimethyl-2-[5-(6-methylpiperidin-2-yl)imidazol-1-yl]acetamide
CID 114715959
2-methyl-6-[3-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-4-yl]piperidine
CID 114719364

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-chloro-5-fluorophenyl)imidazol-4-yl]-6-methylpiperidine?
The IUPAC name of 2-[3-(3-chloro-5-fluorophenyl)imidazol-4-yl]-6-methylpiperidine (CID 107371278) is 2-[3-(3-chloro-5-fluorophenyl)imidazol-4-yl]-6-methylpiperidine.
What is the SMILES notation for 2-[3-(3-chloro-5-fluorophenyl)imidazol-4-yl]-6-methylpiperidine?
The canonical SMILES for 2-[3-(3-chloro-5-fluorophenyl)imidazol-4-yl]-6-methylpiperidine is CC1CCCC(c2cncn2-c2cc(F)cc(Cl)c2)N1.
What is the InChIKey of 2-[3-(3-chloro-5-fluorophenyl)imidazol-4-yl]-6-methylpiperidine?
The InChIKey is HTCRYVFTODUQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN3/c1-10-3-2-4-14(19-10)15-8-18-9-20(15)13-6-11(16)5-12(17)7-13/h5-10,14,19H,2-4H2,1H3.
What are the key properties of 2-[3-(3-chloro-5-fluorophenyl)imidazol-4-yl]-6-methylpiperidine?
2-[3-(3-chloro-5-fluorophenyl)imidazol-4-yl]-6-methylpiperidine has a molecular weight of 293.77 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-chloro-5-fluorophenyl)imidazol-4-yl]-6-methylpiperidine is sourced from PubChem (CID 107371278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).