2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-5-methylpiperidine

C15H18BrN3 — CID 131735785

IUPAC2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-5-methylpiperidine
SMILESCC1CCC(c2ncc(-c3ccc(Br)cc3)[nH]2)NC1
InChIInChI=1S/C15H18BrN3/c1-10-2-7-13(17-8-10)15-18-9-14(19-15)11-3-5-12(16)6-4-11/h3-6,9-10,13,17H,2,7-8H2,1H3,(H,18,19)
InChIKeyIIJROKVFLKLJJZ-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.90
Rot. Bonds2

About 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-5-methylpiperidine

2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-5-methylpiperidine (PubChem CID 131735785) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-5-methylpiperidine.

Molecular Properties

Compound Name2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-5-methylpiperidine
PubChem CID131735785
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-5-methylpiperidine
SMILESCC1CCC(c2ncc(-c3ccc(Br)cc3)[nH]2)NC1
InChIInChI=1S/C15H18BrN3/c1-10-2-7-13(17-8-10)15-18-9-14(19-15)11-3-5-12(16)6-4-11/h3-6,9-10,13,17H,2,7-8H2,1H3,(H,18,19)
InChIKeyIIJROKVFLKLJJZ-UHFFFAOYSA-N
XLogP3.90
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-5-methylpiperidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-5-methylpiperidine?
The IUPAC name of 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-5-methylpiperidine (CID 131735785) is 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-5-methylpiperidine.
What is the SMILES notation for 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-5-methylpiperidine?
The canonical SMILES for 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-5-methylpiperidine is CC1CCC(c2ncc(-c3ccc(Br)cc3)[nH]2)NC1.
What is the InChIKey of 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-5-methylpiperidine?
The InChIKey is IIJROKVFLKLJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-10-2-7-13(17-8-10)15-18-9-14(19-15)11-3-5-12(16)6-4-11/h3-6,9-10,13,17H,2,7-8H2,1H3,(H,18,19).
What are the key properties of 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-5-methylpiperidine?
2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-5-methylpiperidine has a molecular weight of 320.23 g/mol, XLogP of 3.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-5-methylpiperidine is sourced from PubChem (CID 131735785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).