5,6-dichloro-2-[2-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-3-pyridinyl]-1H-benzimidazole

C24H19Cl2F3N4 — CID 25263848

IUPAC5,6-dichloro-2-[2-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-3-pyridinyl]-1H-benzimidazole
SMILESFC(F)(F)c1ccc(C2CCN(c3ncccc3-c3nc4cc(Cl)c(Cl)cc4[nH]3)CC2)cc1
InChIInChI=1S/C24H19Cl2F3N4/c25-18-12-20-21(13-19(18)26)32-22(31-20)17-2-1-9-30-23(17)33-10-7-15(8-11-33)14-3-5-16(6-4-14)24(27,28)29/h1-6,9,12-13,15H,7-8,10-11H2,(H,31,32)
InChIKeyKTJFQJIJEYWZLF-UHFFFAOYSA-N
MW491.34 g/mol
LogP7.33
Rot. Bonds3

About 5,6-dichloro-2-[2-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-3-pyridinyl]-1H-benzimidazole

5,6-dichloro-2-[2-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-3-pyridinyl]-1H-benzimidazole (PubChem CID 25263848) has the molecular formula C24H19Cl2F3N4 and a molecular weight of 491.34 g/mol. Its IUPAC name is 5,6-dichloro-2-[2-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-3-pyridinyl]-1H-benzimidazole.

Molecular Properties

Compound Name5,6-dichloro-2-[2-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-3-pyridinyl]-1H-benzimidazole
PubChem CID25263848
Molecular FormulaC24H19Cl2F3N4
Molecular Weight491.34 g/mol
Exact Mass490.09
IUPAC Name5,6-dichloro-2-[2-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-3-pyridinyl]-1H-benzimidazole
SMILESFC(F)(F)c1ccc(C2CCN(c3ncccc3-c3nc4cc(Cl)c(Cl)cc4[nH]3)CC2)cc1
InChIInChI=1S/C24H19Cl2F3N4/c25-18-12-20-21(13-19(18)26)32-22(31-20)17-2-1-9-30-23(17)33-10-7-15(8-11-33)14-3-5-16(6-4-14)24(27,28)29/h1-6,9,12-13,15H,7-8,10-11H2,(H,31,32)
InChIKeyKTJFQJIJEYWZLF-UHFFFAOYSA-N
XLogP7.33
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.34
LogP ≤ 57.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2-[2-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-3-pyridinyl]-1H-benzimidazole?
The IUPAC name of 5,6-dichloro-2-[2-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-3-pyridinyl]-1H-benzimidazole (CID 25263848) is 5,6-dichloro-2-[2-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-3-pyridinyl]-1H-benzimidazole.
What is the SMILES notation for 5,6-dichloro-2-[2-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-3-pyridinyl]-1H-benzimidazole?
The canonical SMILES for 5,6-dichloro-2-[2-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-3-pyridinyl]-1H-benzimidazole is FC(F)(F)c1ccc(C2CCN(c3ncccc3-c3nc4cc(Cl)c(Cl)cc4[nH]3)CC2)cc1.
What is the InChIKey of 5,6-dichloro-2-[2-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-3-pyridinyl]-1H-benzimidazole?
The InChIKey is KTJFQJIJEYWZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2F3N4/c25-18-12-20-21(13-19(18)26)32-22(31-20)17-2-1-9-30-23(17)33-10-7-15(8-11-33)14-3-5-16(6-4-14)24(27,28)29/h1-6,9,12-13,15H,7-8,10-11H2,(H,31,32).
What are the key properties of 5,6-dichloro-2-[2-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-3-pyridinyl]-1H-benzimidazole?
5,6-dichloro-2-[2-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-3-pyridinyl]-1H-benzimidazole has a molecular weight of 491.34 g/mol, XLogP of 7.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-[2-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-3-pyridinyl]-1H-benzimidazole is sourced from PubChem (CID 25263848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).