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

C24H20ClF4N3 — CID 138633854

IUPAC4-[4-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2,2,2-trifluoroethyl]cyclohexyl]-6-fluoroquinoline
SMILESFc1ccc2nccc(C3CCC([C@H](c4nc5ccc(Cl)cc5[nH]4)C(F)(F)F)CC3)c2c1
InChIInChI=1S/C24H20ClF4N3/c25-15-5-7-20-21(11-15)32-23(31-20)22(24(27,28)29)14-3-1-13(2-4-14)17-9-10-30-19-8-6-16(26)12-18(17)19/h5-14,22H,1-4H2,(H,31,32)/t13?,14?,22-/m1/s1
InChIKeyHZURWNLAAQFDMF-DVUMAKGASA-N
MW461.89 g/mol
LogP7.52
Rot. Bonds3

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

4-[4-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2,2,2-trifluoroethyl]cyclohexyl]-6-fluoroquinoline (PubChem CID 138633854) has the molecular formula C24H20ClF4N3 and a molecular weight of 461.89 g/mol. Its IUPAC name is 4-[4-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2,2,2-trifluoroethyl]cyclohexyl]-6-fluoroquinoline.

Molecular Properties

Compound Name4-[4-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2,2,2-trifluoroethyl]cyclohexyl]-6-fluoroquinoline
PubChem CID138633854
Molecular FormulaC24H20ClF4N3
Molecular Weight461.89 g/mol
Exact Mass461.13
IUPAC Name4-[4-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2,2,2-trifluoroethyl]cyclohexyl]-6-fluoroquinoline
SMILESFc1ccc2nccc(C3CCC([C@H](c4nc5ccc(Cl)cc5[nH]4)C(F)(F)F)CC3)c2c1
InChIInChI=1S/C24H20ClF4N3/c25-15-5-7-20-21(11-15)32-23(31-20)22(24(27,28)29)14-3-1-13(2-4-14)17-9-10-30-19-8-6-16(26)12-18(17)19/h5-14,22H,1-4H2,(H,31,32)/t13?,14?,22-/m1/s1
InChIKeyHZURWNLAAQFDMF-DVUMAKGASA-N
XLogP7.52
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.89
LogP ≤ 57.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[4-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2,2,2-trifluoroethyl]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-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2,2,2-trifluoroethyl]cyclohexyl]-6-fluoroquinoline?
The IUPAC name of 4-[4-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2,2,2-trifluoroethyl]cyclohexyl]-6-fluoroquinoline (CID 138633854) is 4-[4-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2,2,2-trifluoroethyl]cyclohexyl]-6-fluoroquinoline.
What is the SMILES notation for 4-[4-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2,2,2-trifluoroethyl]cyclohexyl]-6-fluoroquinoline?
The canonical SMILES for 4-[4-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2,2,2-trifluoroethyl]cyclohexyl]-6-fluoroquinoline is Fc1ccc2nccc(C3CCC([C@H](c4nc5ccc(Cl)cc5[nH]4)C(F)(F)F)CC3)c2c1.
What is the InChIKey of 4-[4-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2,2,2-trifluoroethyl]cyclohexyl]-6-fluoroquinoline?
The InChIKey is HZURWNLAAQFDMF-DVUMAKGASA-N. The full InChI is InChI=1S/C24H20ClF4N3/c25-15-5-7-20-21(11-15)32-23(31-20)22(24(27,28)29)14-3-1-13(2-4-14)17-9-10-30-19-8-6-16(26)12-18(17)19/h5-14,22H,1-4H2,(H,31,32)/t13?,14?,22-/m1/s1.
What are the key properties of 4-[4-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2,2,2-trifluoroethyl]cyclohexyl]-6-fluoroquinoline?
4-[4-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2,2,2-trifluoroethyl]cyclohexyl]-6-fluoroquinoline has a molecular weight of 461.89 g/mol, XLogP of 7.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2,2,2-trifluoroethyl]cyclohexyl]-6-fluoroquinoline is sourced from PubChem (CID 138633854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).