4-[5-(3-bromophenyl)imidazol-1-yl]piperidine

C14H16BrN3 — CID 84739493

IUPAC4-[5-(3-bromophenyl)imidazol-1-yl]piperidine
SMILESBrc1cccc(-c2cncn2C2CCNCC2)c1
InChIInChI=1S/C14H16BrN3/c15-12-3-1-2-11(8-12)14-9-17-10-18(14)13-4-6-16-7-5-13/h1-3,8-10,13,16H,4-7H2
InChIKeyCIBGZANAVDLZNM-UHFFFAOYSA-N
MW306.21 g/mol
LogP3.24
Rot. Bonds2

About 4-[5-(3-bromophenyl)imidazol-1-yl]piperidine

4-[5-(3-bromophenyl)imidazol-1-yl]piperidine (PubChem CID 84739493) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is 4-[5-(3-bromophenyl)imidazol-1-yl]piperidine.

Molecular Properties

Compound Name4-[5-(3-bromophenyl)imidazol-1-yl]piperidine
PubChem CID84739493
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC Name4-[5-(3-bromophenyl)imidazol-1-yl]piperidine
SMILESBrc1cccc(-c2cncn2C2CCNCC2)c1
InChIInChI=1S/C14H16BrN3/c15-12-3-1-2-11(8-12)14-9-17-10-18(14)13-4-6-16-7-5-13/h1-3,8-10,13,16H,4-7H2
InChIKeyCIBGZANAVDLZNM-UHFFFAOYSA-N
XLogP3.24
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(3-bromophenyl)imidazol-1-yl]piperidine
CID 82559766
4-[5-(3-fluorophenyl)imidazol-1-yl]-2-methylpiperidine
CID 106996443
2-[5-(3-bromophenyl)imidazol-1-yl]-2-cyclopentylethanamine
CID 106738477
4-[5-(3-bromophenyl)-1H-imidazol-2-yl]piperidine
CID 43650774
3-(3-bromophenyl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole
CID 63870917
4-[2-[(3-bromophenyl)methyl]imidazol-1-yl]piperidine
CID 82558165
3-(3-bromophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 28805674
4-(3-bromophenyl)-5-piperidin-4-yl-1,2-oxazole
CID 115053948
2-amino-N-[3-(3-cyclopropylimidazol-4-yl)phenyl]prop-2-enamide
CID 166691105
4-[5-(1-propylpyrazol-4-yl)imidazol-1-yl]azepane
CID 107174374
1-[(4S)-4-methoxypyrrolidin-3-yl]-5-(3-methylphenyl)imidazole
CID 104874886
4-[4-(3-bromophenyl)-1-methylimidazol-2-yl]piperidine
CID 84715755

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-bromophenyl)imidazol-1-yl]piperidine?
The IUPAC name of 4-[5-(3-bromophenyl)imidazol-1-yl]piperidine (CID 84739493) is 4-[5-(3-bromophenyl)imidazol-1-yl]piperidine.
What is the SMILES notation for 4-[5-(3-bromophenyl)imidazol-1-yl]piperidine?
The canonical SMILES for 4-[5-(3-bromophenyl)imidazol-1-yl]piperidine is Brc1cccc(-c2cncn2C2CCNCC2)c1.
What is the InChIKey of 4-[5-(3-bromophenyl)imidazol-1-yl]piperidine?
The InChIKey is CIBGZANAVDLZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c15-12-3-1-2-11(8-12)14-9-17-10-18(14)13-4-6-16-7-5-13/h1-3,8-10,13,16H,4-7H2.
What are the key properties of 4-[5-(3-bromophenyl)imidazol-1-yl]piperidine?
4-[5-(3-bromophenyl)imidazol-1-yl]piperidine has a molecular weight of 306.21 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-bromophenyl)imidazol-1-yl]piperidine is sourced from PubChem (CID 84739493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).