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

C25H22ClF3N4 — CID 71022797

IUPAC5-[5-(4-chlorophenyl)-2-pyridinyl]-1-methyl-2-[4-(trifluoromethyl)piperidin-1-yl]benzimidazole
SMILESCn1c(N2CCC(C(F)(F)F)CC2)nc2cc(-c3ccc(-c4ccc(Cl)cc4)cn3)ccc21
InChIInChI=1S/C25H22ClF3N4/c1-32-23-9-5-17(21-8-4-18(15-30-21)16-2-6-20(26)7-3-16)14-22(23)31-24(32)33-12-10-19(11-13-33)25(27,28)29/h2-9,14-15,19H,10-13H2,1H3
InChIKeyMPJWBRQUHIKTGL-UHFFFAOYSA-N
MW470.93 g/mol
LogP6.73
Rot. Bonds3

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

5-[5-(4-chlorophenyl)-2-pyridinyl]-1-methyl-2-[4-(trifluoromethyl)piperidin-1-yl]benzimidazole (PubChem CID 71022797) has the molecular formula C25H22ClF3N4 and a molecular weight of 470.93 g/mol. Its IUPAC name is 5-[5-(4-chlorophenyl)-2-pyridinyl]-1-methyl-2-[4-(trifluoromethyl)piperidin-1-yl]benzimidazole.

Molecular Properties

Compound Name5-[5-(4-chlorophenyl)-2-pyridinyl]-1-methyl-2-[4-(trifluoromethyl)piperidin-1-yl]benzimidazole
PubChem CID71022797
Molecular FormulaC25H22ClF3N4
Molecular Weight470.93 g/mol
Exact Mass470.15
IUPAC Name5-[5-(4-chlorophenyl)-2-pyridinyl]-1-methyl-2-[4-(trifluoromethyl)piperidin-1-yl]benzimidazole
SMILESCn1c(N2CCC(C(F)(F)F)CC2)nc2cc(-c3ccc(-c4ccc(Cl)cc4)cn3)ccc21
InChIInChI=1S/C25H22ClF3N4/c1-32-23-9-5-17(21-8-4-18(15-30-21)16-2-6-20(26)7-3-16)14-22(23)31-24(32)33-12-10-19(11-13-33)25(27,28)29/h2-9,14-15,19H,10-13H2,1H3
InChIKeyMPJWBRQUHIKTGL-UHFFFAOYSA-N
XLogP6.73
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.93
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-chlorophenyl)-2-pyridinyl]-1-methyl-2-[4-(trifluoromethyl)piperidin-1-yl]benzimidazole?
The IUPAC name of 5-[5-(4-chlorophenyl)-2-pyridinyl]-1-methyl-2-[4-(trifluoromethyl)piperidin-1-yl]benzimidazole (CID 71022797) is 5-[5-(4-chlorophenyl)-2-pyridinyl]-1-methyl-2-[4-(trifluoromethyl)piperidin-1-yl]benzimidazole.
What is the SMILES notation for 5-[5-(4-chlorophenyl)-2-pyridinyl]-1-methyl-2-[4-(trifluoromethyl)piperidin-1-yl]benzimidazole?
The canonical SMILES for 5-[5-(4-chlorophenyl)-2-pyridinyl]-1-methyl-2-[4-(trifluoromethyl)piperidin-1-yl]benzimidazole is Cn1c(N2CCC(C(F)(F)F)CC2)nc2cc(-c3ccc(-c4ccc(Cl)cc4)cn3)ccc21.
What is the InChIKey of 5-[5-(4-chlorophenyl)-2-pyridinyl]-1-methyl-2-[4-(trifluoromethyl)piperidin-1-yl]benzimidazole?
The InChIKey is MPJWBRQUHIKTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClF3N4/c1-32-23-9-5-17(21-8-4-18(15-30-21)16-2-6-20(26)7-3-16)14-22(23)31-24(32)33-12-10-19(11-13-33)25(27,28)29/h2-9,14-15,19H,10-13H2,1H3.
What are the key properties of 5-[5-(4-chlorophenyl)-2-pyridinyl]-1-methyl-2-[4-(trifluoromethyl)piperidin-1-yl]benzimidazole?
5-[5-(4-chlorophenyl)-2-pyridinyl]-1-methyl-2-[4-(trifluoromethyl)piperidin-1-yl]benzimidazole has a molecular weight of 470.93 g/mol, XLogP of 6.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4-chlorophenyl)-2-pyridinyl]-1-methyl-2-[4-(trifluoromethyl)piperidin-1-yl]benzimidazole is sourced from PubChem (CID 71022797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).