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

C23H18F5N5 — CID 10434329

IUPAC6-(3,4-difluorophenyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole
SMILESFc1ccc(-c2ccc3nc(N4CCN(c5ncccc5C(F)(F)F)CC4)[nH]c3c2)cc1F
InChIInChI=1S/C23H18F5N5/c24-17-5-3-14(12-18(17)25)15-4-6-19-20(13-15)31-22(30-19)33-10-8-32(9-11-33)21-16(23(26,27)28)2-1-7-29-21/h1-7,12-13H,8-11H2,(H,30,31)
InChIKeyGSXZFSGUPRBMAW-UHFFFAOYSA-N
MW459.42 g/mol
LogP5.25
Rot. Bonds3

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

6-(3,4-difluorophenyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole (PubChem CID 10434329) has the molecular formula C23H18F5N5 and a molecular weight of 459.42 g/mol. Its IUPAC name is 6-(3,4-difluorophenyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole.

Molecular Properties

Compound Name6-(3,4-difluorophenyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole
PubChem CID10434329
Molecular FormulaC23H18F5N5
Molecular Weight459.42 g/mol
Exact Mass459.15
IUPAC Name6-(3,4-difluorophenyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole
SMILESFc1ccc(-c2ccc3nc(N4CCN(c5ncccc5C(F)(F)F)CC4)[nH]c3c2)cc1F
InChIInChI=1S/C23H18F5N5/c24-17-5-3-14(12-18(17)25)15-4-6-19-20(13-15)31-22(30-19)33-10-8-32(9-11-33)21-16(23(26,27)28)2-1-7-29-21/h1-7,12-13H,8-11H2,(H,30,31)
InChIKeyGSXZFSGUPRBMAW-UHFFFAOYSA-N
XLogP5.25
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.42
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-difluorophenyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole?
The IUPAC name of 6-(3,4-difluorophenyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole (CID 10434329) is 6-(3,4-difluorophenyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole.
What is the SMILES notation for 6-(3,4-difluorophenyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole?
The canonical SMILES for 6-(3,4-difluorophenyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole is Fc1ccc(-c2ccc3nc(N4CCN(c5ncccc5C(F)(F)F)CC4)[nH]c3c2)cc1F.
What is the InChIKey of 6-(3,4-difluorophenyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole?
The InChIKey is GSXZFSGUPRBMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F5N5/c24-17-5-3-14(12-18(17)25)15-4-6-19-20(13-15)31-22(30-19)33-10-8-32(9-11-33)21-16(23(26,27)28)2-1-7-29-21/h1-7,12-13H,8-11H2,(H,30,31).
What are the key properties of 6-(3,4-difluorophenyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole?
6-(3,4-difluorophenyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole has a molecular weight of 459.42 g/mol, XLogP of 5.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-difluorophenyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole is sourced from PubChem (CID 10434329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).