4-[4-[1-(6-chloro-1H-benzimidazol-2-yl)-3,3,3-trifluoropropyl]cyclohexyl]-6-fluoroquinoline

C25H22ClF4N3 — CID 134285212

IUPAC4-[4-[1-(6-chloro-1H-benzimidazol-2-yl)-3,3,3-trifluoropropyl]cyclohexyl]-6-fluoroquinoline
SMILESFc1ccc2nccc(C3CCC(C(CC(F)(F)F)c4nc5ccc(Cl)cc5[nH]4)CC3)c2c1
InChIInChI=1S/C25H22ClF4N3/c26-16-5-7-22-23(11-16)33-24(32-22)20(13-25(28,29)30)15-3-1-14(2-4-15)18-9-10-31-21-8-6-17(27)12-19(18)21/h5-12,14-15,20H,1-4,13H2,(H,32,33)
InChIKeyZHHBPQBIXWCGFK-UHFFFAOYSA-N
MW475.92 g/mol
LogP7.91
Rot. Bonds4

About 4-[4-[1-(6-chloro-1H-benzimidazol-2-yl)-3,3,3-trifluoropropyl]cyclohexyl]-6-fluoroquinoline

4-[4-[1-(6-chloro-1H-benzimidazol-2-yl)-3,3,3-trifluoropropyl]cyclohexyl]-6-fluoroquinoline (PubChem CID 134285212) has the molecular formula C25H22ClF4N3 and a molecular weight of 475.92 g/mol. Its IUPAC name is 4-[4-[1-(6-chloro-1H-benzimidazol-2-yl)-3,3,3-trifluoropropyl]cyclohexyl]-6-fluoroquinoline.

Molecular Properties

Compound Name4-[4-[1-(6-chloro-1H-benzimidazol-2-yl)-3,3,3-trifluoropropyl]cyclohexyl]-6-fluoroquinoline
PubChem CID134285212
Molecular FormulaC25H22ClF4N3
Molecular Weight475.92 g/mol
Exact Mass475.14
IUPAC Name4-[4-[1-(6-chloro-1H-benzimidazol-2-yl)-3,3,3-trifluoropropyl]cyclohexyl]-6-fluoroquinoline
SMILESFc1ccc2nccc(C3CCC(C(CC(F)(F)F)c4nc5ccc(Cl)cc5[nH]4)CC3)c2c1
InChIInChI=1S/C25H22ClF4N3/c26-16-5-7-22-23(11-16)33-24(32-22)20(13-25(28,29)30)15-3-1-14(2-4-15)18-9-10-31-21-8-6-17(27)12-19(18)21/h5-12,14-15,20H,1-4,13H2,(H,32,33)
InChIKeyZHHBPQBIXWCGFK-UHFFFAOYSA-N
XLogP7.91
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.92
LogP ≤ 57.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[4-[1-(6-chloro-1H-benzimidazol-2-yl)-3,3,3-trifluoropropyl]cyclohexyl]-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-[4-[1-(6-chloro-1H-benzimidazol-2-yl)-3,3,3-trifluoropropyl]cyclohexyl]-6-fluoroquinoline?
The IUPAC name of 4-[4-[1-(6-chloro-1H-benzimidazol-2-yl)-3,3,3-trifluoropropyl]cyclohexyl]-6-fluoroquinoline (CID 134285212) is 4-[4-[1-(6-chloro-1H-benzimidazol-2-yl)-3,3,3-trifluoropropyl]cyclohexyl]-6-fluoroquinoline.
What is the SMILES notation for 4-[4-[1-(6-chloro-1H-benzimidazol-2-yl)-3,3,3-trifluoropropyl]cyclohexyl]-6-fluoroquinoline?
The canonical SMILES for 4-[4-[1-(6-chloro-1H-benzimidazol-2-yl)-3,3,3-trifluoropropyl]cyclohexyl]-6-fluoroquinoline is Fc1ccc2nccc(C3CCC(C(CC(F)(F)F)c4nc5ccc(Cl)cc5[nH]4)CC3)c2c1.
What is the InChIKey of 4-[4-[1-(6-chloro-1H-benzimidazol-2-yl)-3,3,3-trifluoropropyl]cyclohexyl]-6-fluoroquinoline?
The InChIKey is ZHHBPQBIXWCGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClF4N3/c26-16-5-7-22-23(11-16)33-24(32-22)20(13-25(28,29)30)15-3-1-14(2-4-15)18-9-10-31-21-8-6-17(27)12-19(18)21/h5-12,14-15,20H,1-4,13H2,(H,32,33).
What are the key properties of 4-[4-[1-(6-chloro-1H-benzimidazol-2-yl)-3,3,3-trifluoropropyl]cyclohexyl]-6-fluoroquinoline?
4-[4-[1-(6-chloro-1H-benzimidazol-2-yl)-3,3,3-trifluoropropyl]cyclohexyl]-6-fluoroquinoline has a molecular weight of 475.92 g/mol, XLogP of 7.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-(6-chloro-1H-benzimidazol-2-yl)-3,3,3-trifluoropropyl]cyclohexyl]-6-fluoroquinoline is sourced from PubChem (CID 134285212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).