4-[1-[1-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-2,2,2-trifluoroethyl]piperidin-4-yl]-6-fluoroquinoline

C23H18ClF5N4 — CID 155165348

IUPAC4-[1-[1-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-2,2,2-trifluoroethyl]piperidin-4-yl]-6-fluoroquinoline
SMILESFc1ccc2nccc(C3CCN(C(c4nc5cc(Cl)c(F)cc5[nH]4)C(F)(F)F)CC3)c2c1
InChIInChI=1S/C23H18ClF5N4/c24-16-10-19-20(11-17(16)26)32-22(31-19)21(23(27,28)29)33-7-4-12(5-8-33)14-3-6-30-18-2-1-13(25)9-15(14)18/h1-3,6,9-12,21H,4-5,7-8H2,(H,31,32)
InChIKeyYHVSICNLNWVMCT-UHFFFAOYSA-N
MW480.87 g/mol
LogP6.53
Rot. Bonds3

About 4-[1-[1-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-2,2,2-trifluoroethyl]piperidin-4-yl]-6-fluoroquinoline

4-[1-[1-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-2,2,2-trifluoroethyl]piperidin-4-yl]-6-fluoroquinoline (PubChem CID 155165348) has the molecular formula C23H18ClF5N4 and a molecular weight of 480.87 g/mol. Its IUPAC name is 4-[1-[1-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-2,2,2-trifluoroethyl]piperidin-4-yl]-6-fluoroquinoline.

Molecular Properties

Compound Name4-[1-[1-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-2,2,2-trifluoroethyl]piperidin-4-yl]-6-fluoroquinoline
PubChem CID155165348
Molecular FormulaC23H18ClF5N4
Molecular Weight480.87 g/mol
Exact Mass480.11
IUPAC Name4-[1-[1-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-2,2,2-trifluoroethyl]piperidin-4-yl]-6-fluoroquinoline
SMILESFc1ccc2nccc(C3CCN(C(c4nc5cc(Cl)c(F)cc5[nH]4)C(F)(F)F)CC3)c2c1
InChIInChI=1S/C23H18ClF5N4/c24-16-10-19-20(11-17(16)26)32-22(31-19)21(23(27,28)29)33-7-4-12(5-8-33)14-3-6-30-18-2-1-13(25)9-15(14)18/h1-3,6,9-12,21H,4-5,7-8H2,(H,31,32)
InChIKeyYHVSICNLNWVMCT-UHFFFAOYSA-N
XLogP6.53
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.87
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[1-[1-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-2,2,2-trifluoroethyl]piperidin-4-yl]-6-fluoroquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1-[1-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-2,2,2-trifluoroethyl]piperidin-4-yl]-6-fluoroquinoline?
The IUPAC name of 4-[1-[1-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-2,2,2-trifluoroethyl]piperidin-4-yl]-6-fluoroquinoline (CID 155165348) is 4-[1-[1-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-2,2,2-trifluoroethyl]piperidin-4-yl]-6-fluoroquinoline.
What is the SMILES notation for 4-[1-[1-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-2,2,2-trifluoroethyl]piperidin-4-yl]-6-fluoroquinoline?
The canonical SMILES for 4-[1-[1-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-2,2,2-trifluoroethyl]piperidin-4-yl]-6-fluoroquinoline is Fc1ccc2nccc(C3CCN(C(c4nc5cc(Cl)c(F)cc5[nH]4)C(F)(F)F)CC3)c2c1.
What is the InChIKey of 4-[1-[1-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-2,2,2-trifluoroethyl]piperidin-4-yl]-6-fluoroquinoline?
The InChIKey is YHVSICNLNWVMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClF5N4/c24-16-10-19-20(11-17(16)26)32-22(31-19)21(23(27,28)29)33-7-4-12(5-8-33)14-3-6-30-18-2-1-13(25)9-15(14)18/h1-3,6,9-12,21H,4-5,7-8H2,(H,31,32).
What are the key properties of 4-[1-[1-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-2,2,2-trifluoroethyl]piperidin-4-yl]-6-fluoroquinoline?
4-[1-[1-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-2,2,2-trifluoroethyl]piperidin-4-yl]-6-fluoroquinoline has a molecular weight of 480.87 g/mol, XLogP of 6.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[1-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-2,2,2-trifluoroethyl]piperidin-4-yl]-6-fluoroquinoline is sourced from PubChem (CID 155165348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).