6-[5-(4-chlorophenyl)-2-pyridinyl]-2-[4-(trifluoromethyl)piperidin-1-yl]-1H-benzimidazole

C24H20ClF3N4 — CID 71022829

IUPAC6-[5-(4-chlorophenyl)-2-pyridinyl]-2-[4-(trifluoromethyl)piperidin-1-yl]-1H-benzimidazole
SMILESFC(F)(F)C1CCN(c2nc3ccc(-c4ccc(-c5ccc(Cl)cc5)cn4)cc3[nH]2)CC1
InChIInChI=1S/C24H20ClF3N4/c25-19-5-1-15(2-6-19)17-4-7-20(29-14-17)16-3-8-21-22(13-16)31-23(30-21)32-11-9-18(10-12-32)24(26,27)28/h1-8,13-14,18H,9-12H2,(H,30,31)
InChIKeyFITVEIGCDFNXCU-UHFFFAOYSA-N
MW456.90 g/mol
LogP6.72
Rot. Bonds3

About 6-[5-(4-chlorophenyl)-2-pyridinyl]-2-[4-(trifluoromethyl)piperidin-1-yl]-1H-benzimidazole

6-[5-(4-chlorophenyl)-2-pyridinyl]-2-[4-(trifluoromethyl)piperidin-1-yl]-1H-benzimidazole (PubChem CID 71022829) has the molecular formula C24H20ClF3N4 and a molecular weight of 456.90 g/mol. Its IUPAC name is 6-[5-(4-chlorophenyl)-2-pyridinyl]-2-[4-(trifluoromethyl)piperidin-1-yl]-1H-benzimidazole.

Molecular Properties

Compound Name6-[5-(4-chlorophenyl)-2-pyridinyl]-2-[4-(trifluoromethyl)piperidin-1-yl]-1H-benzimidazole
PubChem CID71022829
Molecular FormulaC24H20ClF3N4
Molecular Weight456.90 g/mol
Exact Mass456.13
IUPAC Name6-[5-(4-chlorophenyl)-2-pyridinyl]-2-[4-(trifluoromethyl)piperidin-1-yl]-1H-benzimidazole
SMILESFC(F)(F)C1CCN(c2nc3ccc(-c4ccc(-c5ccc(Cl)cc5)cn4)cc3[nH]2)CC1
InChIInChI=1S/C24H20ClF3N4/c25-19-5-1-15(2-6-19)17-4-7-20(29-14-17)16-3-8-21-22(13-16)31-23(30-21)32-11-9-18(10-12-32)24(26,27)28/h1-8,13-14,18H,9-12H2,(H,30,31)
InChIKeyFITVEIGCDFNXCU-UHFFFAOYSA-N
XLogP6.72
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.90
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(4-chlorophenyl)-2-pyridinyl]-2-[4-(trifluoromethyl)piperidin-1-yl]-1H-benzimidazole?
The IUPAC name of 6-[5-(4-chlorophenyl)-2-pyridinyl]-2-[4-(trifluoromethyl)piperidin-1-yl]-1H-benzimidazole (CID 71022829) is 6-[5-(4-chlorophenyl)-2-pyridinyl]-2-[4-(trifluoromethyl)piperidin-1-yl]-1H-benzimidazole.
What is the SMILES notation for 6-[5-(4-chlorophenyl)-2-pyridinyl]-2-[4-(trifluoromethyl)piperidin-1-yl]-1H-benzimidazole?
The canonical SMILES for 6-[5-(4-chlorophenyl)-2-pyridinyl]-2-[4-(trifluoromethyl)piperidin-1-yl]-1H-benzimidazole is FC(F)(F)C1CCN(c2nc3ccc(-c4ccc(-c5ccc(Cl)cc5)cn4)cc3[nH]2)CC1.
What is the InChIKey of 6-[5-(4-chlorophenyl)-2-pyridinyl]-2-[4-(trifluoromethyl)piperidin-1-yl]-1H-benzimidazole?
The InChIKey is FITVEIGCDFNXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClF3N4/c25-19-5-1-15(2-6-19)17-4-7-20(29-14-17)16-3-8-21-22(13-16)31-23(30-21)32-11-9-18(10-12-32)24(26,27)28/h1-8,13-14,18H,9-12H2,(H,30,31).
What are the key properties of 6-[5-(4-chlorophenyl)-2-pyridinyl]-2-[4-(trifluoromethyl)piperidin-1-yl]-1H-benzimidazole?
6-[5-(4-chlorophenyl)-2-pyridinyl]-2-[4-(trifluoromethyl)piperidin-1-yl]-1H-benzimidazole has a molecular weight of 456.90 g/mol, XLogP of 6.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(4-chlorophenyl)-2-pyridinyl]-2-[4-(trifluoromethyl)piperidin-1-yl]-1H-benzimidazole is sourced from PubChem (CID 71022829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).