3-[5-(3-bromophenyl)-1H-imidazol-2-yl]piperidine

C14H16BrN3 — CID 43651037

IUPAC3-[5-(3-bromophenyl)-1H-imidazol-2-yl]piperidine
SMILESBrc1cccc(-c2cnc(C3CCCNC3)[nH]2)c1
InChIInChI=1S/C14H16BrN3/c15-12-5-1-3-10(7-12)13-9-17-14(18-13)11-4-2-6-16-8-11/h1,3,5,7,9,11,16H,2,4,6,8H2,(H,17,18)
InChIKeyXDIAVDUSIYHMGK-UHFFFAOYSA-N
MW306.21 g/mol
LogP3.31
Rot. Bonds2

About 3-[5-(3-bromophenyl)-1H-imidazol-2-yl]piperidine

3-[5-(3-bromophenyl)-1H-imidazol-2-yl]piperidine (PubChem CID 43651037) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is 3-[5-(3-bromophenyl)-1H-imidazol-2-yl]piperidine.

Molecular Properties

Compound Name3-[5-(3-bromophenyl)-1H-imidazol-2-yl]piperidine
PubChem CID43651037
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC Name3-[5-(3-bromophenyl)-1H-imidazol-2-yl]piperidine
SMILESBrc1cccc(-c2cnc(C3CCCNC3)[nH]2)c1
InChIInChI=1S/C14H16BrN3/c15-12-5-1-3-10(7-12)13-9-17-14(18-13)11-4-2-6-16-8-11/h1,3,5,7,9,11,16H,2,4,6,8H2,(H,17,18)
InChIKeyXDIAVDUSIYHMGK-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[5-(3-bromophenyl)-1H-imidazol-2-yl]piperidine
CID 43650774
5-(3-bromophenyl)-2-cyclopropyl-1H-imidazole
CID 89481039
3-[5-(3-bromophenyl)-1H-imidazol-2-yl]cyclohexan-1-amine
CID 63046992
3-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]piperidine
CID 43650991
3-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]piperidine
CID 43650985
3-[5-(3-bromophenyl)-1-methylimidazol-2-yl]piperidine
CID 84604162
5-(3-bromophenyl)-4-hydroxy-2-piperidin-3-yl-1H-pyrimidin-6-one
CID 79432183
3-(2-cyclopentyl-1H-imidazol-5-yl)phenol
CID 115036762
3-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]piperidine
CID 43651004
2-phenyl-5-(2-pyrrolidin-3-yl-1H-imidazol-5-yl)pyrimidine
CID 59252462
3-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]piperidine
CID 43651028
2-(3-bromophenyl)-5-piperidin-3-yl-1,3,4-oxadiazole
CID 82045304

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-bromophenyl)-1H-imidazol-2-yl]piperidine?
The IUPAC name of 3-[5-(3-bromophenyl)-1H-imidazol-2-yl]piperidine (CID 43651037) is 3-[5-(3-bromophenyl)-1H-imidazol-2-yl]piperidine.
What is the SMILES notation for 3-[5-(3-bromophenyl)-1H-imidazol-2-yl]piperidine?
The canonical SMILES for 3-[5-(3-bromophenyl)-1H-imidazol-2-yl]piperidine is Brc1cccc(-c2cnc(C3CCCNC3)[nH]2)c1.
What is the InChIKey of 3-[5-(3-bromophenyl)-1H-imidazol-2-yl]piperidine?
The InChIKey is XDIAVDUSIYHMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c15-12-5-1-3-10(7-12)13-9-17-14(18-13)11-4-2-6-16-8-11/h1,3,5,7,9,11,16H,2,4,6,8H2,(H,17,18).
What are the key properties of 3-[5-(3-bromophenyl)-1H-imidazol-2-yl]piperidine?
3-[5-(3-bromophenyl)-1H-imidazol-2-yl]piperidine has a molecular weight of 306.21 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-bromophenyl)-1H-imidazol-2-yl]piperidine is sourced from PubChem (CID 43651037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).