4-[1-[(6-chloro-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-6-fluoroquinoline;4-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-6-fluoroquinoline;4-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]quinoline;4-[4-[(1R)-1-(5,6-difluoro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline

C90H83Cl3F5N15 — CID 158927249

IUPAC4-[1-[(6-chloro-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-6-fluoroquinoline;4-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-6-fluoroquinoline;4-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]quinoline;4-[4-[(1R)-1-(5,6-difluoro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline
SMILESC[C@@H](c1nc2cc(F)c(F)cc2[nH]1)C1CCC(c2ccnc3ccc(F)cc23)CC1.Clc1ccc2nc(CC3CCN(c4ccnc5ccccc45)CC3)[nH]c2c1.Fc1ccc2nccc(C3CCN(Cc4nc5ccc(Cl)cc5[nH]4)CC3)c2c1.Fc1ccc2nccc(N3CCC(Cc4nc5ccc(Cl)cc5[nH]4)CC3)c2c1
InChIInChI=1S/C24H22F3N3.2C22H20ClFN4.C22H21ClN4/c1-13(24-29-22-11-19(26)20(27)12-23(22)30-24)14-2-4-15(5-3-14)17-8-9-28-21-7-6-16(25)10-18(17)21;23-15-1-3-20-21(11-15)27-22(26-20)13-28-9-6-14(7-10-28)17-5-8-25-19-4-2-16(24)12-18(17)19;23-15-1-3-19-20(12-15)27-22(26-19)11-14-6-9-28(10-7-14)21-5-8-25-18-4-2-16(24)13-17(18)21;23-16-5-6-19-20(14-16)26-22(25-19)13-15-8-11-27(12-9-15)21-7-10-24-18-4-2-1-3-17(18)21/h6-15H,2-5H2,1H3,(H,29,30);1-5,8,11-12,14H,6-7,9-10,13H2,(H,26,27);1-5,8,12-14H,6-7,9-11H2,(H,26,27);1-7,10,14-15H,8-9,11-13H2,(H,25,26)/t13-,14?,15?;;;/m1.../s1
InChIKeyJIPHGRHVEISUQA-DWIFGCADSA-N
MW1576.11 g/mol
LogP22.48
Rot. Bonds12

About 4-[1-[(6-chloro-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-6-fluoroquinoline;4-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-6-fluoroquinoline;4-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]quinoline;4-[4-[(1R)-1-(5,6-difluoro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline

4-[1-[(6-chloro-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-6-fluoroquinoline;4-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-6-fluoroquinoline;4-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]quinoline;4-[4-[(1R)-1-(5,6-difluoro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline (PubChem CID 158927249) has the molecular formula C90H83Cl3F5N15 and a molecular weight of 1576.11 g/mol. Its IUPAC name is 4-[1-[(6-chloro-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-6-fluoroquinoline;4-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-6-fluoroquinoline;4-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]quinoline;4-[4-[(1R)-1-(5,6-difluoro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline.

Molecular Properties

Compound Name4-[1-[(6-chloro-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-6-fluoroquinoline;4-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-6-fluoroquinoline;4-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]quinoline;4-[4-[(1R)-1-(5,6-difluoro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline
PubChem CID158927249
Molecular FormulaC90H83Cl3F5N15
Molecular Weight1576.11 g/mol
Exact Mass1573.59
IUPAC Name4-[1-[(6-chloro-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-6-fluoroquinoline;4-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-6-fluoroquinoline;4-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]quinoline;4-[4-[(1R)-1-(5,6-difluoro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline
SMILESC[C@@H](c1nc2cc(F)c(F)cc2[nH]1)C1CCC(c2ccnc3ccc(F)cc23)CC1.Clc1ccc2nc(CC3CCN(c4ccnc5ccccc45)CC3)[nH]c2c1.Fc1ccc2nccc(C3CCN(Cc4nc5ccc(Cl)cc5[nH]4)CC3)c2c1.Fc1ccc2nccc(N3CCC(Cc4nc5ccc(Cl)cc5[nH]4)CC3)c2c1
InChIInChI=1S/C24H22F3N3.2C22H20ClFN4.C22H21ClN4/c1-13(24-29-22-11-19(26)20(27)12-23(22)30-24)14-2-4-15(5-3-14)17-8-9-28-21-7-6-16(25)10-18(17)21;23-15-1-3-20-21(11-15)27-22(26-20)13-28-9-6-14(7-10-28)17-5-8-25-19-4-2-16(24)12-18(17)19;23-15-1-3-19-20(12-15)27-22(26-19)11-14-6-9-28(10-7-14)21-5-8-25-18-4-2-16(24)13-17(18)21;23-16-5-6-19-20(14-16)26-22(25-19)13-15-8-11-27(12-9-15)21-7-10-24-18-4-2-1-3-17(18)21/h6-15H,2-5H2,1H3,(H,29,30);1-5,8,11-12,14H,6-7,9-10,13H2,(H,26,27);1-5,8,12-14H,6-7,9-11H2,(H,26,27);1-7,10,14-15H,8-9,11-13H2,(H,25,26)/t13-,14?,15?;;;/m1.../s1
InChIKeyJIPHGRHVEISUQA-DWIFGCADSA-N
XLogP22.48
TPSA176.00 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001576.11
LogP ≤ 522.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 4-[1-[(6-chloro-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-6-fluoroquinoline;4-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-6-fluoroquinoline;4-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]quinoline;4-[4-[(1R)-1-(5,6-difluoro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline 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
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 A41
CID 138664022
1-[5-(4,6-dichloro-1H-benzimidazol-2-yl)-4-(trifluoromethyl)pyrimidin-2-yl]-2-[5-(4,5-dimethyl-1H-benzimidazol-2-yl)-4-(trifluoromethyl)pyrimidin-2-yl]-1,2-bis[3-(1-methylpiperidin-4-yl)propyl]hydrazine
CID 91063656
1-[5-(5-chloro-4-methyl-1H-benzimidazol-2-yl)-4-methylpyrimidin-2-yl]-2-[5-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)-4-(trifluoromethyl)pyrimidin-2-yl]-1,2-bis[3-(1-methylpiperidin-4-yl)propyl]hydrazine
CID 91498712
4-(3a,4,6,6a-tetrahydro-3H-pyrrolo[2,3-c]pyrrol-5-yl)-2-[[7-[[[4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-fluoro-2-(1,5-naphthyridin-3-ylmethyl)-9H-pyrimido[4,5-b]indol-8-yl]amino]methyl]-1,5-naphthyridin-3-yl]methyl]-6-fluoro-N-methyl-9H-pyrimido[4,5-b]indol-8-amine
CID 123788773
3-[[5-Chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-1-[4-[4-[5-chloro-2-[(2-oxo-1-quinolin-6-ylimidazo[4,5-c]pyridin-3-yl)methyl]benzimidazol-1-yl]-1-fluorobutyl]cyclohexyl]imidazo[4,5-c]pyridin-2-one
CID 123876305
N-[1-[5-chloro-8-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]quinolin-7-yl]ethyl]-7H-purin-6-amine
CID 123898380
N-[(1S)-1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethyl]-8-[3-[5-chloro-2-[(1R)-1-(7H-purin-6-ylamino)ethyl]quinolin-3-yl]-5-fluorophenyl]-7H-purin-6-amine
CID 134185406

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(6-chloro-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-6-fluoroquinoline;4-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-6-fluoroquinoline;4-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]quinoline;4-[4-[(1R)-1-(5,6-difluoro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline?
The IUPAC name of 4-[1-[(6-chloro-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-6-fluoroquinoline;4-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-6-fluoroquinoline;4-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]quinoline;4-[4-[(1R)-1-(5,6-difluoro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline (CID 158927249) is 4-[1-[(6-chloro-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-6-fluoroquinoline;4-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-6-fluoroquinoline;4-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]quinoline;4-[4-[(1R)-1-(5,6-difluoro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline.
What is the SMILES notation for 4-[1-[(6-chloro-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-6-fluoroquinoline;4-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-6-fluoroquinoline;4-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]quinoline;4-[4-[(1R)-1-(5,6-difluoro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline?
The canonical SMILES for 4-[1-[(6-chloro-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-6-fluoroquinoline;4-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-6-fluoroquinoline;4-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]quinoline;4-[4-[(1R)-1-(5,6-difluoro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline is C[C@@H](c1nc2cc(F)c(F)cc2[nH]1)C1CCC(c2ccnc3ccc(F)cc23)CC1.Clc1ccc2nc(CC3CCN(c4ccnc5ccccc45)CC3)[nH]c2c1.Fc1ccc2nccc(C3CCN(Cc4nc5ccc(Cl)cc5[nH]4)CC3)c2c1.Fc1ccc2nccc(N3CCC(Cc4nc5ccc(Cl)cc5[nH]4)CC3)c2c1.
What is the InChIKey of 4-[1-[(6-chloro-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-6-fluoroquinoline;4-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-6-fluoroquinoline;4-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]quinoline;4-[4-[(1R)-1-(5,6-difluoro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline?
The InChIKey is JIPHGRHVEISUQA-DWIFGCADSA-N. The full InChI is InChI=1S/C24H22F3N3.2C22H20ClFN4.C22H21ClN4/c1-13(24-29-22-11-19(26)20(27)12-23(22)30-24)14-2-4-15(5-3-14)17-8-9-28-21-7-6-16(25)10-18(17)21;23-15-1-3-20-21(11-15)27-22(26-20)13-28-9-6-14(7-10-28)17-5-8-25-19-4-2-16(24)12-18(17)19;23-15-1-3-19-20(12-15)27-22(26-19)11-14-6-9-28(10-7-14)21-5-8-25-18-4-2-16(24)13-17(18)21;23-16-5-6-19-20(14-16)26-22(25-19)13-15-8-11-27(12-9-15)21-7-10-24-18-4-2-1-3-17(18)21/h6-15H,2-5H2,1H3,(H,29,30);1-5,8,11-12,14H,6-7,9-10,13H2,(H,26,27);1-5,8,12-14H,6-7,9-11H2,(H,26,27);1-7,10,14-15H,8-9,11-13H2,(H,25,26)/t13-,14?,15?;;;/m1.../s1.
What are the key properties of 4-[1-[(6-chloro-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-6-fluoroquinoline;4-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-6-fluoroquinoline;4-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]quinoline;4-[4-[(1R)-1-(5,6-difluoro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline?
4-[1-[(6-chloro-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-6-fluoroquinoline;4-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-6-fluoroquinoline;4-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]quinoline;4-[4-[(1R)-1-(5,6-difluoro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline has a molecular weight of 1576.11 g/mol, XLogP of 22.48, 12 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(6-chloro-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-6-fluoroquinoline;4-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-6-fluoroquinoline;4-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]quinoline;4-[4-[(1R)-1-(5,6-difluoro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline is sourced from PubChem (CID 158927249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).