8-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]-5-fluoroquinoline;5-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline;bis(6-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline)

C92H87Cl4FN12 — CID 158681728

IUPAC8-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]-5-fluoroquinoline;5-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline;bis(6-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline)
SMILESClc1ccc2nc(CC3CCC(c4ccc5ncccc5c4)CC3)[nH]c2c1.Clc1ccc2nc(CC3CCC(c4ccc5ncccc5c4)CC3)[nH]c2c1.Clc1ccc2nc(CC3CCC(c4cccc5ncccc45)CC3)[nH]c2c1.Fc1ccc(C2CCC(Cc3nc4ccc(Cl)cc4[nH]3)CC2)c2ncccc12
InChIInChI=1S/C23H21ClFN3.3C23H22ClN3/c24-16-7-10-20-21(13-16)28-22(27-20)12-14-3-5-15(6-4-14)17-8-9-19(25)18-2-1-11-26-23(17)18;24-17-10-11-21-22(14-17)27-23(26-21)13-15-6-8-16(9-7-15)18-3-1-5-20-19(18)4-2-12-25-20;2*24-19-8-10-21-22(14-19)27-23(26-21)12-15-3-5-16(6-4-15)17-7-9-20-18(13-17)2-1-11-25-20/h1-2,7-11,13-15H,3-6,12H2,(H,27,28);1-5,10-12,14-16H,6-9,13H2,(H,26,27);2*1-2,7-11,13-16H,3-6,12H2,(H,26,27)
InChIKeyIFFGSDAQMGEAFB-UHFFFAOYSA-N
MW1521.60 g/mol
LogP25.26
Rot. Bonds12

About 8-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]-5-fluoroquinoline;5-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline;bis(6-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline)

8-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]-5-fluoroquinoline;5-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline;bis(6-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline) (PubChem CID 158681728) has the molecular formula C92H87Cl4FN12 and a molecular weight of 1521.60 g/mol. Its IUPAC name is 8-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]-5-fluoroquinoline;5-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline;bis(6-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline).

Molecular Properties

Compound Name8-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]-5-fluoroquinoline;5-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline;bis(6-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline)
PubChem CID158681728
Molecular FormulaC92H87Cl4FN12
Molecular Weight1521.60 g/mol
Exact Mass1518.59
IUPAC Name8-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]-5-fluoroquinoline;5-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline;bis(6-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline)
SMILESClc1ccc2nc(CC3CCC(c4ccc5ncccc5c4)CC3)[nH]c2c1.Clc1ccc2nc(CC3CCC(c4ccc5ncccc5c4)CC3)[nH]c2c1.Clc1ccc2nc(CC3CCC(c4cccc5ncccc45)CC3)[nH]c2c1.Fc1ccc(C2CCC(Cc3nc4ccc(Cl)cc4[nH]3)CC2)c2ncccc12
InChIInChI=1S/C23H21ClFN3.3C23H22ClN3/c24-16-7-10-20-21(13-16)28-22(27-20)12-14-3-5-15(6-4-14)17-8-9-19(25)18-2-1-11-26-23(17)18;24-17-10-11-21-22(14-17)27-23(26-21)13-15-6-8-16(9-7-15)18-3-1-5-20-19(18)4-2-12-25-20;2*24-19-8-10-21-22(14-19)27-23(26-21)12-15-3-5-16(6-4-15)17-7-9-20-18(13-17)2-1-11-25-20/h1-2,7-11,13-15H,3-6,12H2,(H,27,28);1-5,10-12,14-16H,6-9,13H2,(H,26,27);2*1-2,7-11,13-16H,3-6,12H2,(H,26,27)
InChIKeyIFFGSDAQMGEAFB-UHFFFAOYSA-N
XLogP25.26
TPSA166.28 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms109
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001521.60
LogP ≤ 525.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 8-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]-5-fluoroquinoline;5-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline;bis(6-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline) with MolForge

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Related Compounds

4-[4-[1-(6-chloro-1H-benzimidazol-2-yl)propyl]cyclohexyl]-6-fluoroquinoline
CID 134285174
4-[4-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline
CID 139336466
2-[1-[6-[(2S)-2-(5,6-dichloro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]-5-pyridin-3-yl-3,4-dihydro-1H-isoquinoline
CID 57399510
1-N-(4-chlorophenyl)-6-methyl-5-N-[3-(7H-purin-6-yl)-2-pyridinyl]isoquinoline-1,5-diamine;trihydrochloride
CID 90664306
2-[6-(1H-benzimidazol-2-yl)-2-pyridyl]-1H-benzimidazole; 1,10-phenanthroline; pyrazine; ruthenium(2+); ruthenium(3+); trihexafluorophosphate
CID 11980901
US11472788, Example A1a
CID 138664002
US11472788, Example A22
CID 138664977
US11472788, Example A23a
CID 138664250
4-[4-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]cyclohexyl]-6-(trifluoromethyl)quinoline
CID 134285273
4-[4-[1-(6-chloro-1H-benzimidazol-2-yl)propyl]cyclohexyl]-6-(trifluoromethyl)quinoline
CID 134285274
4-[4-[(2S)-2-(6-chloro-1H-benzimidazol-2-yl)propyl]cyclohexyl]-6-fluoroquinoline
CID 138633858
4-[4-[(2R)-2-(6-chloro-1H-benzimidazol-2-yl)propyl]cyclohexyl]-6-fluoroquinoline
CID 138633893

Frequently Asked Questions

What is the IUPAC name of 8-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]-5-fluoroquinoline;5-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline;bis(6-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline)?
The IUPAC name of 8-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]-5-fluoroquinoline;5-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline;bis(6-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline) (CID 158681728) is 8-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]-5-fluoroquinoline;5-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline;bis(6-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline).
What is the SMILES notation for 8-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]-5-fluoroquinoline;5-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline;bis(6-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline)?
The canonical SMILES for 8-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]-5-fluoroquinoline;5-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline;bis(6-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline) is Clc1ccc2nc(CC3CCC(c4ccc5ncccc5c4)CC3)[nH]c2c1.Clc1ccc2nc(CC3CCC(c4ccc5ncccc5c4)CC3)[nH]c2c1.Clc1ccc2nc(CC3CCC(c4cccc5ncccc45)CC3)[nH]c2c1.Fc1ccc(C2CCC(Cc3nc4ccc(Cl)cc4[nH]3)CC2)c2ncccc12.
What is the InChIKey of 8-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]-5-fluoroquinoline;5-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline;bis(6-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline)?
The InChIKey is IFFGSDAQMGEAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClFN3.3C23H22ClN3/c24-16-7-10-20-21(13-16)28-22(27-20)12-14-3-5-15(6-4-14)17-8-9-19(25)18-2-1-11-26-23(17)18;24-17-10-11-21-22(14-17)27-23(26-21)13-15-6-8-16(9-7-15)18-3-1-5-20-19(18)4-2-12-25-20;2*24-19-8-10-21-22(14-19)27-23(26-21)12-15-3-5-16(6-4-15)17-7-9-20-18(13-17)2-1-11-25-20/h1-2,7-11,13-15H,3-6,12H2,(H,27,28);1-5,10-12,14-16H,6-9,13H2,(H,26,27);2*1-2,7-11,13-16H,3-6,12H2,(H,26,27).
What are the key properties of 8-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]-5-fluoroquinoline;5-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline;bis(6-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline)?
8-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]-5-fluoroquinoline;5-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline;bis(6-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline) has a molecular weight of 1521.60 g/mol, XLogP of 25.26, 12 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]-5-fluoroquinoline;5-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline;bis(6-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline) is sourced from PubChem (CID 158681728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).