2-[3-(4-bromo-2,3-dichlorophenyl)imidazol-4-yl]-6-methylpiperidine

C15H16BrCl2N3 — CID 107795764

IUPAC2-[3-(4-bromo-2,3-dichlorophenyl)imidazol-4-yl]-6-methylpiperidine
SMILESCC1CCCC(c2cncn2-c2ccc(Br)c(Cl)c2Cl)N1
InChIInChI=1S/C15H16BrCl2N3/c1-9-3-2-4-11(20-9)13-7-19-8-21(13)12-6-5-10(16)14(17)15(12)18/h5-9,11,20H,2-4H2,1H3
InChIKeyXKWKNBAOIXPNDM-UHFFFAOYSA-N
MW389.12 g/mol
LogP5.14
Rot. Bonds2

About 2-[3-(4-bromo-2,3-dichlorophenyl)imidazol-4-yl]-6-methylpiperidine

2-[3-(4-bromo-2,3-dichlorophenyl)imidazol-4-yl]-6-methylpiperidine (PubChem CID 107795764) has the molecular formula C15H16BrCl2N3 and a molecular weight of 389.12 g/mol. Its IUPAC name is 2-[3-(4-bromo-2,3-dichlorophenyl)imidazol-4-yl]-6-methylpiperidine.

Molecular Properties

Compound Name2-[3-(4-bromo-2,3-dichlorophenyl)imidazol-4-yl]-6-methylpiperidine
PubChem CID107795764
Molecular FormulaC15H16BrCl2N3
Molecular Weight389.12 g/mol
Exact Mass386.99
IUPAC Name2-[3-(4-bromo-2,3-dichlorophenyl)imidazol-4-yl]-6-methylpiperidine
SMILESCC1CCCC(c2cncn2-c2ccc(Br)c(Cl)c2Cl)N1
InChIInChI=1S/C15H16BrCl2N3/c1-9-3-2-4-11(20-9)13-7-19-8-21(13)12-6-5-10(16)14(17)15(12)18/h5-9,11,20H,2-4H2,1H3
InChIKeyXKWKNBAOIXPNDM-UHFFFAOYSA-N
XLogP5.14
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.12
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2-[3-(4-bromo-2,3-dichlorophenyl)imidazol-4-yl]-6-methylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-6-[3-(2-propylphenyl)imidazol-4-yl]piperidine
CID 114719236
2-[3-(3-chloro-5-fluorophenyl)imidazol-4-yl]-6-methylpiperidine
CID 107371278
2-methyl-6-[3-(1-methylpyrazol-4-yl)imidazol-4-yl]piperidine
CID 114717939
2-methyl-6-[3-(2-methylcyclopentyl)imidazol-4-yl]piperidine
CID 114720496
2-methyl-6-[3-(2-methylcyclohexyl)imidazol-4-yl]piperidine
CID 114717087
2-[3-(1-benzothiophen-5-yl)imidazol-4-yl]-6-methylpiperidine
CID 114720722
2-[3-(dicyclopropylmethyl)imidazol-4-yl]-6-methylpiperidine
CID 114719576
2-[3-(4-fluoro-3-methoxyphenyl)imidazol-4-yl]-6-methylpiperidine
CID 114841259
2-methyl-6-(3-pentan-2-ylimidazol-4-yl)piperidine
CID 114716663
2-[3-[1-(3-chlorophenyl)ethyl]imidazol-4-yl]-6-methylpiperidine
CID 114719041
2-[3-(2,2-difluoroethyl)imidazol-4-yl]-6-methylpiperidine
CID 114721475
2-[3-[2-(5-bromothiophen-2-yl)ethyl]imidazol-4-yl]-6-methylpiperidine
CID 106041251

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-bromo-2,3-dichlorophenyl)imidazol-4-yl]-6-methylpiperidine?
The IUPAC name of 2-[3-(4-bromo-2,3-dichlorophenyl)imidazol-4-yl]-6-methylpiperidine (CID 107795764) is 2-[3-(4-bromo-2,3-dichlorophenyl)imidazol-4-yl]-6-methylpiperidine.
What is the SMILES notation for 2-[3-(4-bromo-2,3-dichlorophenyl)imidazol-4-yl]-6-methylpiperidine?
The canonical SMILES for 2-[3-(4-bromo-2,3-dichlorophenyl)imidazol-4-yl]-6-methylpiperidine is CC1CCCC(c2cncn2-c2ccc(Br)c(Cl)c2Cl)N1.
What is the InChIKey of 2-[3-(4-bromo-2,3-dichlorophenyl)imidazol-4-yl]-6-methylpiperidine?
The InChIKey is XKWKNBAOIXPNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrCl2N3/c1-9-3-2-4-11(20-9)13-7-19-8-21(13)12-6-5-10(16)14(17)15(12)18/h5-9,11,20H,2-4H2,1H3.
What are the key properties of 2-[3-(4-bromo-2,3-dichlorophenyl)imidazol-4-yl]-6-methylpiperidine?
2-[3-(4-bromo-2,3-dichlorophenyl)imidazol-4-yl]-6-methylpiperidine has a molecular weight of 389.12 g/mol, XLogP of 5.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-bromo-2,3-dichlorophenyl)imidazol-4-yl]-6-methylpiperidine is sourced from PubChem (CID 107795764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).