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

C17H15ClF3N5 — CID 11656199

IUPAC2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-6-(trifluoromethyl)-1H-benzimidazole
SMILESFC(F)(F)c1ccc2nc(N3CCN(c4ccncc4Cl)CC3)[nH]c2c1
InChIInChI=1S/C17H15ClF3N5/c18-12-10-22-4-3-15(12)25-5-7-26(8-6-25)16-23-13-2-1-11(17(19,20)21)9-14(13)24-16/h1-4,9-10H,5-8H2,(H,23,24)
InChIKeyJNOQPIJJQGEYQM-UHFFFAOYSA-N
MW381.79 g/mol
LogP3.96
Rot. Bonds2

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

2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-6-(trifluoromethyl)-1H-benzimidazole (PubChem CID 11656199) has the molecular formula C17H15ClF3N5 and a molecular weight of 381.79 g/mol. Its IUPAC name is 2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-6-(trifluoromethyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-6-(trifluoromethyl)-1H-benzimidazole
PubChem CID11656199
Molecular FormulaC17H15ClF3N5
Molecular Weight381.79 g/mol
Exact Mass381.10
IUPAC Name2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-6-(trifluoromethyl)-1H-benzimidazole
SMILESFC(F)(F)c1ccc2nc(N3CCN(c4ccncc4Cl)CC3)[nH]c2c1
InChIInChI=1S/C17H15ClF3N5/c18-12-10-22-4-3-15(12)25-5-7-26(8-6-25)16-23-13-2-1-11(17(19,20)21)9-14(13)24-16/h1-4,9-10H,5-8H2,(H,23,24)
InChIKeyJNOQPIJJQGEYQM-UHFFFAOYSA-N
XLogP3.96
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.79
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-6-(trifluoromethyl)-1H-benzimidazole?
The IUPAC name of 2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-6-(trifluoromethyl)-1H-benzimidazole (CID 11656199) is 2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-6-(trifluoromethyl)-1H-benzimidazole.
What is the SMILES notation for 2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-6-(trifluoromethyl)-1H-benzimidazole?
The canonical SMILES for 2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-6-(trifluoromethyl)-1H-benzimidazole is FC(F)(F)c1ccc2nc(N3CCN(c4ccncc4Cl)CC3)[nH]c2c1.
What is the InChIKey of 2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-6-(trifluoromethyl)-1H-benzimidazole?
The InChIKey is JNOQPIJJQGEYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3N5/c18-12-10-22-4-3-15(12)25-5-7-26(8-6-25)16-23-13-2-1-11(17(19,20)21)9-14(13)24-16/h1-4,9-10H,5-8H2,(H,23,24).
What are the key properties of 2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-6-(trifluoromethyl)-1H-benzimidazole?
2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-6-(trifluoromethyl)-1H-benzimidazole has a molecular weight of 381.79 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-6-(trifluoromethyl)-1H-benzimidazole is sourced from PubChem (CID 11656199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).