6-bromo-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole

C17H15BrF3N5 — CID 11597064

IUPAC6-bromo-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole
SMILESFC(F)(F)c1cccnc1N1CCN(c2nc3ccc(Br)cc3[nH]2)CC1
InChIInChI=1S/C17H15BrF3N5/c18-11-3-4-13-14(10-11)24-16(23-13)26-8-6-25(7-9-26)15-12(17(19,20)21)2-1-5-22-15/h1-5,10H,6-9H2,(H,23,24)
InChIKeyJDNSEHIHGMTNPI-UHFFFAOYSA-N
MW426.24 g/mol
LogP4.07
Rot. Bonds2

About 6-bromo-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole

6-bromo-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole (PubChem CID 11597064) has the molecular formula C17H15BrF3N5 and a molecular weight of 426.24 g/mol. Its IUPAC name is 6-bromo-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole.

Molecular Properties

Compound Name6-bromo-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole
PubChem CID11597064
Molecular FormulaC17H15BrF3N5
Molecular Weight426.24 g/mol
Exact Mass425.05
IUPAC Name6-bromo-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole
SMILESFC(F)(F)c1cccnc1N1CCN(c2nc3ccc(Br)cc3[nH]2)CC1
InChIInChI=1S/C17H15BrF3N5/c18-11-3-4-13-14(10-11)24-16(23-13)26-8-6-25(7-9-26)15-12(17(19,20)21)2-1-5-22-15/h1-5,10H,6-9H2,(H,23,24)
InChIKeyJDNSEHIHGMTNPI-UHFFFAOYSA-N
XLogP4.07
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.24
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole?
The IUPAC name of 6-bromo-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole (CID 11597064) is 6-bromo-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole.
What is the SMILES notation for 6-bromo-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole?
The canonical SMILES for 6-bromo-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole is FC(F)(F)c1cccnc1N1CCN(c2nc3ccc(Br)cc3[nH]2)CC1.
What is the InChIKey of 6-bromo-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole?
The InChIKey is JDNSEHIHGMTNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrF3N5/c18-11-3-4-13-14(10-11)24-16(23-13)26-8-6-25(7-9-26)15-12(17(19,20)21)2-1-5-22-15/h1-5,10H,6-9H2,(H,23,24).
What are the key properties of 6-bromo-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole?
6-bromo-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole has a molecular weight of 426.24 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole is sourced from PubChem (CID 11597064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).