6-fluoro-4-[4-[(1R)-2,2,2-trifluoro-1-(4,6,7-trifluoro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline

C24H18F7N3 — CID 138633839

IUPAC6-fluoro-4-[4-[(1R)-2,2,2-trifluoro-1-(4,6,7-trifluoro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline
SMILESFc1ccc2nccc(C3CCC([C@H](c4nc5c(F)cc(F)c(F)c5[nH]4)C(F)(F)F)CC3)c2c1
InChIInChI=1S/C24H18F7N3/c25-13-5-6-18-15(9-13)14(7-8-32-18)11-1-3-12(4-2-11)19(24(29,30)31)23-33-21-17(27)10-16(26)20(28)22(21)34-23/h5-12,19H,1-4H2,(H,33,34)/t11?,12?,19-/m1/s1
InChIKeyMVWOKCNGRFYUEQ-ZYYDUNOVSA-N
MW481.42 g/mol
LogP7.29
Rot. Bonds3

About 6-fluoro-4-[4-[(1R)-2,2,2-trifluoro-1-(4,6,7-trifluoro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline

6-fluoro-4-[4-[(1R)-2,2,2-trifluoro-1-(4,6,7-trifluoro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline (PubChem CID 138633839) has the molecular formula C24H18F7N3 and a molecular weight of 481.42 g/mol. Its IUPAC name is 6-fluoro-4-[4-[(1R)-2,2,2-trifluoro-1-(4,6,7-trifluoro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline.

Molecular Properties

Compound Name6-fluoro-4-[4-[(1R)-2,2,2-trifluoro-1-(4,6,7-trifluoro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline
PubChem CID138633839
Molecular FormulaC24H18F7N3
Molecular Weight481.42 g/mol
Exact Mass481.14
IUPAC Name6-fluoro-4-[4-[(1R)-2,2,2-trifluoro-1-(4,6,7-trifluoro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline
SMILESFc1ccc2nccc(C3CCC([C@H](c4nc5c(F)cc(F)c(F)c5[nH]4)C(F)(F)F)CC3)c2c1
InChIInChI=1S/C24H18F7N3/c25-13-5-6-18-15(9-13)14(7-8-32-18)11-1-3-12(4-2-11)19(24(29,30)31)23-33-21-17(27)10-16(26)20(28)22(21)34-23/h5-12,19H,1-4H2,(H,33,34)/t11?,12?,19-/m1/s1
InChIKeyMVWOKCNGRFYUEQ-ZYYDUNOVSA-N
XLogP7.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.42
LogP ≤ 57.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 6-fluoro-4-[4-[(1R)-2,2,2-trifluoro-1-(4,6,7-trifluoro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline 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 6-fluoro-4-[4-[(1R)-2,2,2-trifluoro-1-(4,6,7-trifluoro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline?
The IUPAC name of 6-fluoro-4-[4-[(1R)-2,2,2-trifluoro-1-(4,6,7-trifluoro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline (CID 138633839) is 6-fluoro-4-[4-[(1R)-2,2,2-trifluoro-1-(4,6,7-trifluoro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline.
What is the SMILES notation for 6-fluoro-4-[4-[(1R)-2,2,2-trifluoro-1-(4,6,7-trifluoro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline?
The canonical SMILES for 6-fluoro-4-[4-[(1R)-2,2,2-trifluoro-1-(4,6,7-trifluoro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline is Fc1ccc2nccc(C3CCC([C@H](c4nc5c(F)cc(F)c(F)c5[nH]4)C(F)(F)F)CC3)c2c1.
What is the InChIKey of 6-fluoro-4-[4-[(1R)-2,2,2-trifluoro-1-(4,6,7-trifluoro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline?
The InChIKey is MVWOKCNGRFYUEQ-ZYYDUNOVSA-N. The full InChI is InChI=1S/C24H18F7N3/c25-13-5-6-18-15(9-13)14(7-8-32-18)11-1-3-12(4-2-11)19(24(29,30)31)23-33-21-17(27)10-16(26)20(28)22(21)34-23/h5-12,19H,1-4H2,(H,33,34)/t11?,12?,19-/m1/s1.
What are the key properties of 6-fluoro-4-[4-[(1R)-2,2,2-trifluoro-1-(4,6,7-trifluoro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline?
6-fluoro-4-[4-[(1R)-2,2,2-trifluoro-1-(4,6,7-trifluoro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline has a molecular weight of 481.42 g/mol, XLogP of 7.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-[4-[(1R)-2,2,2-trifluoro-1-(4,6,7-trifluoro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline is sourced from PubChem (CID 138633839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).