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

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Related Compounds

2-[5-(4-bromophenyl)-1H-imidazol-2-yl]piperidine
CID 43651125
CID 144634079
CID 144634079
5-(4-bromophenyl)-2-[4-(methoxymethyl)pyrrolidin-2-yl]-1H-imidazole
CID 123588571
(3R,5S)-5-[5-[4-[4-[2-[(2S,4R)-4-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-3-ol
CID 59669031
3-[5-(4-bromophenyl)-1H-imidazol-2-yl]cyclohexan-1-amine
CID 63047168
5-(4-iodophenyl)-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole
CID 124681351
5-[4-(5-bromothiophen-2-yl)phenyl]-2-pyrrolidin-2-yl-1H-imidazole
CID 150236542
2-[5-(4-propan-2-ylphenyl)-1H-imidazol-2-yl]piperidine
CID 43651056
2-[5-(4-propoxyphenyl)-1H-imidazol-2-yl]piperidine
CID 43651080
5-(4-ethoxyphenyl)-2-pyrrolidin-2-yl-1H-imidazole
CID 43650691
2-[(5S)-4,5-dimethylpyrrolidin-2-yl]-5-[4-[4-[2-(5-methylpyrrolidin-2-yl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole
CID 90151746
4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)benzonitrile
CID 43650678

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).