4-[5-(3-bromophenyl)-1H-imidazol-2-yl]piperidine

C14H16BrN3 — CID 43650774

IUPAC4-[5-(3-bromophenyl)-1H-imidazol-2-yl]piperidine
SMILESBrc1cccc(-c2cnc(C3CCNCC3)[nH]2)c1
InChIInChI=1S/C14H16BrN3/c15-12-3-1-2-11(8-12)13-9-17-14(18-13)10-4-6-16-7-5-10/h1-3,8-10,16H,4-7H2,(H,17,18)
InChIKeyGDMUDEBOSFGHAX-UHFFFAOYSA-N
MW306.21 g/mol
LogP3.31
Rot. Bonds2

About 4-[5-(3-bromophenyl)-1H-imidazol-2-yl]piperidine

4-[5-(3-bromophenyl)-1H-imidazol-2-yl]piperidine (PubChem CID 43650774) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is 4-[5-(3-bromophenyl)-1H-imidazol-2-yl]piperidine.

Molecular Properties

Compound Name4-[5-(3-bromophenyl)-1H-imidazol-2-yl]piperidine
PubChem CID43650774
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC Name4-[5-(3-bromophenyl)-1H-imidazol-2-yl]piperidine
SMILESBrc1cccc(-c2cnc(C3CCNCC3)[nH]2)c1
InChIInChI=1S/C14H16BrN3/c15-12-3-1-2-11(8-12)13-9-17-14(18-13)10-4-6-16-7-5-10/h1-3,8-10,16H,4-7H2,(H,17,18)
InChIKeyGDMUDEBOSFGHAX-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

5-(3-bromophenyl)-2-cyclopropyl-1H-imidazole
CID 89481039
3-[5-(3-bromophenyl)-1H-imidazol-2-yl]piperidine
CID 43651037
4-(5-phenyl-1H-imidazol-2-yl)piperidine
CID 22615586
3-(2-piperidin-4-yl-1H-imidazol-5-yl)benzonitrile;dihydrochloride
CID 141220521
3-[5-(3-bromophenyl)-1H-imidazol-2-yl]cyclohexan-1-amine
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4-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]piperidine
CID 82308947
3-(2-cyclopentyl-1H-imidazol-5-yl)phenol
CID 115036762
4-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]piperidine
CID 95474427
4-[5-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine
CID 66649801
4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine;dihydrochloride
CID 71742558
4-[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine;dihydrochloride
CID 90169763
2-phenyl-5-(2-pyrrolidin-3-yl-1H-imidazol-5-yl)pyrimidine
CID 59252462

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-bromophenyl)-1H-imidazol-2-yl]piperidine?
The IUPAC name of 4-[5-(3-bromophenyl)-1H-imidazol-2-yl]piperidine (CID 43650774) is 4-[5-(3-bromophenyl)-1H-imidazol-2-yl]piperidine.
What is the SMILES notation for 4-[5-(3-bromophenyl)-1H-imidazol-2-yl]piperidine?
The canonical SMILES for 4-[5-(3-bromophenyl)-1H-imidazol-2-yl]piperidine is Brc1cccc(-c2cnc(C3CCNCC3)[nH]2)c1.
What is the InChIKey of 4-[5-(3-bromophenyl)-1H-imidazol-2-yl]piperidine?
The InChIKey is GDMUDEBOSFGHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c15-12-3-1-2-11(8-12)13-9-17-14(18-13)10-4-6-16-7-5-10/h1-3,8-10,16H,4-7H2,(H,17,18).
What are the key properties of 4-[5-(3-bromophenyl)-1H-imidazol-2-yl]piperidine?
4-[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 4-[5-(3-bromophenyl)-1H-imidazol-2-yl]piperidine is sourced from PubChem (CID 43650774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).