2-[[4-(5-bromo-3-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-1H-benzimidazole

C17H17BrFN5 — CID 166601916

IUPAC2-[[4-(5-bromo-3-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-1H-benzimidazole
SMILESFc1cc(Br)cnc1N1CCN(Cc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C17H17BrFN5/c18-12-9-13(19)17(20-10-12)24-7-5-23(6-8-24)11-16-21-14-3-1-2-4-15(14)22-16/h1-4,9-10H,5-8,11H2,(H,21,22)
InChIKeyQFBSTEYMIDBWAJ-UHFFFAOYSA-N
MW390.26 g/mol
LogP3.18
Rot. Bonds3

About 2-[[4-(5-bromo-3-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-1H-benzimidazole

2-[[4-(5-bromo-3-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-1H-benzimidazole (PubChem CID 166601916) has the molecular formula C17H17BrFN5 and a molecular weight of 390.26 g/mol. Its IUPAC name is 2-[[4-(5-bromo-3-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[[4-(5-bromo-3-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-1H-benzimidazole
PubChem CID166601916
Molecular FormulaC17H17BrFN5
Molecular Weight390.26 g/mol
Exact Mass389.07
IUPAC Name2-[[4-(5-bromo-3-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-1H-benzimidazole
SMILESFc1cc(Br)cnc1N1CCN(Cc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C17H17BrFN5/c18-12-9-13(19)17(20-10-12)24-7-5-23(6-8-24)11-16-21-14-3-1-2-4-15(14)22-16/h1-4,9-10H,5-8,11H2,(H,21,22)
InChIKeyQFBSTEYMIDBWAJ-UHFFFAOYSA-N
XLogP3.18
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.26
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine;hydrochloride
CID 2971877
2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1H-benzimidazole
CID 11289781
2-[(4-pyridin-3-ylpiperazin-1-yl)methyl]-1H-benzimidazole
CID 11300847
(Z)-but-2-enedioic acid;2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-benzimidazole
CID 69199029
2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-1H-benzimidazole
CID 11738728
2-(piperidin-1-ylmethyl)-1H-benzimidazole;dihydrochloride
CID 3063303
2-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-1H-benzimidazole
CID 75438688
2-[[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]methyl]-1H-benzimidazole
CID 139028312
N-[2-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]methanesulfonamide
CID 10156977
2-[(4-ethyl-1,4-diazepan-1-yl)methyl]-1H-benzimidazole
CID 142265346
2-[[4-(5-nitro-2-pyridinyl)piperazin-1-yl]methyl]-1H-benzimidazole
CID 110187118
1-(5-bromo-3-fluoro-2-pyridinyl)azepane
CID 104918629

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(5-bromo-3-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-1H-benzimidazole?
The IUPAC name of 2-[[4-(5-bromo-3-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-1H-benzimidazole (CID 166601916) is 2-[[4-(5-bromo-3-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-1H-benzimidazole.
What is the SMILES notation for 2-[[4-(5-bromo-3-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-1H-benzimidazole?
The canonical SMILES for 2-[[4-(5-bromo-3-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-1H-benzimidazole is Fc1cc(Br)cnc1N1CCN(Cc2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 2-[[4-(5-bromo-3-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-1H-benzimidazole?
The InChIKey is QFBSTEYMIDBWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFN5/c18-12-9-13(19)17(20-10-12)24-7-5-23(6-8-24)11-16-21-14-3-1-2-4-15(14)22-16/h1-4,9-10H,5-8,11H2,(H,21,22).
What are the key properties of 2-[[4-(5-bromo-3-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-1H-benzimidazole?
2-[[4-(5-bromo-3-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-1H-benzimidazole has a molecular weight of 390.26 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(5-bromo-3-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-1H-benzimidazole is sourced from PubChem (CID 166601916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).