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

C15H19BrN4 — CID 116881233

IUPAC3-[[5-(2-bromophenyl)-1H-imidazol-2-yl]methyl]-1-methylpiperazine
SMILESCN1CCNC(Cc2ncc(-c3ccccc3Br)[nH]2)C1
InChIInChI=1S/C15H19BrN4/c1-20-7-6-17-11(10-20)8-15-18-9-14(19-15)12-4-2-3-5-13(12)16/h2-5,9,11,17H,6-8,10H2,1H3,(H,18,19)
InChIKeyBNONPFQLSQRWKP-UHFFFAOYSA-N
MW335.25 g/mol
LogP2.29
Rot. Bonds3

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

3-[[5-(2-bromophenyl)-1H-imidazol-2-yl]methyl]-1-methylpiperazine (PubChem CID 116881233) has the molecular formula C15H19BrN4 and a molecular weight of 335.25 g/mol. Its IUPAC name is 3-[[5-(2-bromophenyl)-1H-imidazol-2-yl]methyl]-1-methylpiperazine.

Molecular Properties

Compound Name3-[[5-(2-bromophenyl)-1H-imidazol-2-yl]methyl]-1-methylpiperazine
PubChem CID116881233
Molecular FormulaC15H19BrN4
Molecular Weight335.25 g/mol
Exact Mass334.08
IUPAC Name3-[[5-(2-bromophenyl)-1H-imidazol-2-yl]methyl]-1-methylpiperazine
SMILESCN1CCNC(Cc2ncc(-c3ccccc3Br)[nH]2)C1
InChIInChI=1S/C15H19BrN4/c1-20-7-6-17-11(10-20)8-15-18-9-14(19-15)12-4-2-3-5-13(12)16/h2-5,9,11,17H,6-8,10H2,1H3,(H,18,19)
InChIKeyBNONPFQLSQRWKP-UHFFFAOYSA-N
XLogP2.29
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-[[5-(1H-pyrrol-2-yl)-1H-imidazol-2-yl]methyl]piperazine
CID 116881223
1-methyl-3-[(5-propyl-1H-imidazol-2-yl)methyl]piperazine
CID 116881215
N-[(2-bromophenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine
CID 115238694
5-(2-methylphenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 61363930
5-(2-bromophenyl)-2-butyl-1H-imidazole
CID 67753296
2-[5-(2-bromophenyl)-1H-imidazol-2-yl]ethanamine
CID 43650934
5-(2-chlorophenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 61365687
1-methyl-3-(5-phenyl-1H-imidazol-2-yl)piperazine
CID 116881118
4-[5-(2-bromophenyl)-1H-imidazol-2-yl]butan-2-one
CID 116880935
2-bromo-5-(2-bromophenyl)-1H-imidazole
CID 117259929
6-[5-(2-bromophenyl)-1H-imidazol-2-yl]hexan-1-amine
CID 43651769
1-methyl-3-[(1-methylimidazol-2-yl)methyl]piperazine
CID 83443620

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(2-bromophenyl)-1H-imidazol-2-yl]methyl]-1-methylpiperazine?
The IUPAC name of 3-[[5-(2-bromophenyl)-1H-imidazol-2-yl]methyl]-1-methylpiperazine (CID 116881233) is 3-[[5-(2-bromophenyl)-1H-imidazol-2-yl]methyl]-1-methylpiperazine.
What is the SMILES notation for 3-[[5-(2-bromophenyl)-1H-imidazol-2-yl]methyl]-1-methylpiperazine?
The canonical SMILES for 3-[[5-(2-bromophenyl)-1H-imidazol-2-yl]methyl]-1-methylpiperazine is CN1CCNC(Cc2ncc(-c3ccccc3Br)[nH]2)C1.
What is the InChIKey of 3-[[5-(2-bromophenyl)-1H-imidazol-2-yl]methyl]-1-methylpiperazine?
The InChIKey is BNONPFQLSQRWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4/c1-20-7-6-17-11(10-20)8-15-18-9-14(19-15)12-4-2-3-5-13(12)16/h2-5,9,11,17H,6-8,10H2,1H3,(H,18,19).
What are the key properties of 3-[[5-(2-bromophenyl)-1H-imidazol-2-yl]methyl]-1-methylpiperazine?
3-[[5-(2-bromophenyl)-1H-imidazol-2-yl]methyl]-1-methylpiperazine has a molecular weight of 335.25 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(2-bromophenyl)-1H-imidazol-2-yl]methyl]-1-methylpiperazine is sourced from PubChem (CID 116881233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).