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

C14H16BrN3 — CID 43651125

IUPAC2-[5-(4-bromophenyl)-1H-imidazol-2-yl]piperidine
SMILESBrc1ccc(-c2cnc(C3CCCCN3)[nH]2)cc1
InChIInChI=1S/C14H16BrN3/c15-11-6-4-10(5-7-11)13-9-17-14(18-13)12-3-1-2-8-16-12/h4-7,9,12,16H,1-3,8H2,(H,17,18)
InChIKeyBHQAXCURNPPRNJ-UHFFFAOYSA-N
MW306.21 g/mol
LogP3.65
Rot. Bonds2

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

2-[5-(4-bromophenyl)-1H-imidazol-2-yl]piperidine (PubChem CID 43651125) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]piperidine.

Molecular Properties

Compound Name2-[5-(4-bromophenyl)-1H-imidazol-2-yl]piperidine
PubChem CID43651125
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC Name2-[5-(4-bromophenyl)-1H-imidazol-2-yl]piperidine
SMILESBrc1ccc(-c2cnc(C3CCCCN3)[nH]2)cc1
InChIInChI=1S/C14H16BrN3/c15-11-6-4-10(5-7-11)13-9-17-14(18-13)12-3-1-2-8-16-12/h4-7,9,12,16H,1-3,8H2,(H,17,18)
InChIKeyBHQAXCURNPPRNJ-UHFFFAOYSA-N
XLogP3.65
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

CID 144634079
CID 144634079
2-[5-(4-propan-2-ylphenyl)-1H-imidazol-2-yl]piperidine
CID 43651056
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-(3,4-dichlorophenyl)-1H-imidazol-2-yl]azepane
CID 64570784
4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)benzonitrile
CID 43650678
2-[5-(4-propoxyphenyl)-1H-imidazol-2-yl]piperidine
CID 43651080
2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-5-methylpiperidine
CID 131735785
2-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-5-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]pyridine
CID 24950799
2-[(2S)-pyrrolidin-2-yl]-5-[4-[2-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]ethyl]phenyl]-1H-imidazole
CID 67003843
2-pyrrolidin-2-yl-5-[4-[4-(5-pyrrolidin-2-yl-1H-imidazol-2-yl)phenyl]phenyl]-1H-imidazole
CID 91301281
5-(4-ethoxyphenyl)-2-pyrrolidin-2-yl-1H-imidazole
CID 43650691

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]piperidine?
The IUPAC name of 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]piperidine (CID 43651125) is 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]piperidine.
What is the SMILES notation for 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]piperidine?
The canonical SMILES for 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]piperidine is Brc1ccc(-c2cnc(C3CCCCN3)[nH]2)cc1.
What is the InChIKey of 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]piperidine?
The InChIKey is BHQAXCURNPPRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c15-11-6-4-10(5-7-11)13-9-17-14(18-13)12-3-1-2-8-16-12/h4-7,9,12,16H,1-3,8H2,(H,17,18).
What are the key properties of 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]piperidine?
2-[5-(4-bromophenyl)-1H-imidazol-2-yl]piperidine has a molecular weight of 306.21 g/mol, XLogP of 3.65, 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]piperidine is sourced from PubChem (CID 43651125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).