N-[[3-(aminomethyl)furan-2-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[4-(aminomethyl)furan-3-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[2-(aminomethyl)thiophen-3-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[4-(aminomethyl)thiophen-3-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine

C116H126N26O2S2 — CID 158168070

IUPACN-[[3-(aminomethyl)furan-2-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[4-(aminomethyl)furan-3-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[2-(aminomethyl)thiophen-3-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[4-(aminomethyl)thiophen-3-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
SMILESNCc1ccoc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21.NCc1cocc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21.NCc1cscc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21.NCc1ncccc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21.NCc1sccc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21
InChIInChI=1S/C24H26N6.2C23H25N5O.2C23H25N5S/c25-14-21-18(8-5-12-26-21)15-30(16-23-28-19-9-1-2-10-20(19)29-23)22-11-3-6-17-7-4-13-27-24(17)22;24-13-17-10-12-29-21(17)14-28(15-22-26-18-7-1-2-8-19(18)27-22)20-9-3-5-16-6-4-11-25-23(16)20;24-11-17-14-29-15-18(17)12-28(13-22-26-19-7-1-2-8-20(19)27-22)21-9-3-5-16-6-4-10-25-23(16)21;24-13-21-17(10-12-29-21)14-28(15-22-26-18-7-1-2-8-19(18)27-22)20-9-3-5-16-6-4-11-25-23(16)20;24-11-17-14-29-15-18(17)12-28(13-22-26-19-7-1-2-8-20(19)27-22)21-9-3-5-16-6-4-10-25-23(16)21/h1-2,4-5,7-10,12-13,22H,3,6,11,14-16,25H2,(H,28,29);1-2,4,6-8,10-12,20H,3,5,9,13-15,24H2,(H,26,27);1-2,4,6-8,10,14-15,21H,3,5,9,11-13,24H2,(H,26,27);1-2,4,6-8,10-12,20H,3,5,9,13-15,24H2,(H,26,27);1-2,4,6-8,10,14-15,21H,3,5,9,11-13,24H2,(H,26,27)
InChIKeyFXCCPELNKBQGDP-UHFFFAOYSA-N
MW1980.60 g/mol
LogP21.19
Rot. Bonds30

About N-[[3-(aminomethyl)furan-2-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[4-(aminomethyl)furan-3-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[2-(aminomethyl)thiophen-3-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[4-(aminomethyl)thiophen-3-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine

N-[[3-(aminomethyl)furan-2-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[4-(aminomethyl)furan-3-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[2-(aminomethyl)thiophen-3-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[4-(aminomethyl)thiophen-3-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 158168070) has the molecular formula C116H126N26O2S2 and a molecular weight of 1980.60 g/mol. Its IUPAC name is N-[[3-(aminomethyl)furan-2-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[4-(aminomethyl)furan-3-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[2-(aminomethyl)thiophen-3-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[4-(aminomethyl)thiophen-3-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)furan-2-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[4-(aminomethyl)furan-3-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[2-(aminomethyl)thiophen-3-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[4-(aminomethyl)thiophen-3-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID158168070
Molecular FormulaC116H126N26O2S2
Molecular Weight1980.60 g/mol
Exact Mass1979.00
IUPAC NameN-[[3-(aminomethyl)furan-2-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[4-(aminomethyl)furan-3-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[2-(aminomethyl)thiophen-3-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[4-(aminomethyl)thiophen-3-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
SMILESNCc1ccoc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21.NCc1cocc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21.NCc1cscc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21.NCc1ncccc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21.NCc1sccc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21
InChIInChI=1S/C24H26N6.2C23H25N5O.2C23H25N5S/c25-14-21-18(8-5-12-26-21)15-30(16-23-28-19-9-1-2-10-20(19)29-23)22-11-3-6-17-7-4-13-27-24(17)22;24-13-17-10-12-29-21(17)14-28(15-22-26-18-7-1-2-8-19(18)27-22)20-9-3-5-16-6-4-11-25-23(16)20;24-11-17-14-29-15-18(17)12-28(13-22-26-19-7-1-2-8-20(19)27-22)21-9-3-5-16-6-4-10-25-23(16)21;24-13-21-17(10-12-29-21)14-28(15-22-26-18-7-1-2-8-19(18)27-22)20-9-3-5-16-6-4-11-25-23(16)20;24-11-17-14-29-15-18(17)12-28(13-22-26-19-7-1-2-8-20(19)27-22)21-9-3-5-16-6-4-10-25-23(16)21/h1-2,4-5,7-10,12-13,22H,3,6,11,14-16,25H2,(H,28,29);1-2,4,6-8,10-12,20H,3,5,9,13-15,24H2,(H,26,27);1-2,4,6-8,10,14-15,21H,3,5,9,11-13,24H2,(H,26,27);1-2,4,6-8,10-12,20H,3,5,9,13-15,24H2,(H,26,27);1-2,4,6-8,10,14-15,21H,3,5,9,11-13,24H2,(H,26,27)
InChIKeyFXCCPELNKBQGDP-UHFFFAOYSA-N
XLogP21.19
TPSA393.32 Ų
H-Bond Donors10
H-Bond Acceptors25
Rotatable Bonds30
Heavy Atoms146
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001980.60
LogP ≤ 521.19
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1025

Analyze N-[[3-(aminomethyl)furan-2-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[4-(aminomethyl)furan-3-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[2-(aminomethyl)thiophen-3-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[4-(aminomethyl)thiophen-3-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine with MolForge

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Related Compounds

tert-butylbenzene;bis(6-tert-butyl-1H-benzimidazole);1-tert-butylcyclopenta-1,3-diene;bis(2-tert-butylcyclopenta-1,3-diene);4-tert-butyl-1,1-difluorocyclohexane;bis(2-tert-butylfuran);3-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;2-tert-butylnaphthalene;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;3-tert-butyl-1H-pyrrole;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;6-tert-butylquinoline;2-tert-butylthiophene;2-methylpropane;piperidine
CID 157716365
N-[3-[[4-(1-benzofuran-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]phenyl]-3-(trifluoromethyl)benzamide;N-[3-[[4-(1-benzothiophen-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]phenyl]-3-(trifluoromethyl)benzamide;N-[3-[[4-(furan-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]phenyl]-3-(trifluoromethyl)benzamide;N-[3-[(4-thiophen-2-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]phenyl]-3-(trifluoromethyl)benzamide
CID 161678402
2,4-dimethylfuro[3,2-c]pyridine;1,2-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,4-dimethylindole;2,4-dimethyl-1H-pyrrolo[3,2-c]pyridine;5-fluoro-4-methyl-7H-pyrrolo[2,3-d]pyrimidine;methane;4-methylfuro[3,2-c]pyridine;4-methyl-1H-indole;1-methylisoquinoline;4-(1-methylisoquinolin-3-yl)morpholine;7-methyl-[1,2]oxazolo[5,4-c]pyridine;2-methyl-3-prop-1-enylpyridine;4-methylquinazoline;4-(4-methylquinazolin-2-yl)morpholine;4-methylthieno[2,3-d]pyrimidine;4-methyl-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 161865812
N-[[4-[2-(2-amino-3-pyridinyl)-5-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide;2-[4-[2-(2-amino-3-pyridinyl)-6-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]-N-(2-methylquinolin-6-yl)acetamide;N-[[4-[2-(2-amino-3-pyridinyl)-5-thiophen-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide
CID 89120208
4-[5-[3-[2-[4-[3-[3-[3-(1H-imidazol-2-yl)-1H-pyrrol-2-yl]thiophen-2-yl]furan-2-yl]-1,3-thiazol-2-yl]piperazin-1-yl]oxan-2-yl]-2-piperidin-1-yl-2-(1,3-thiazolidin-2-yl)pyrrolidin-3-yl]-3-(2-quinazolin-2-yl-1,3-oxazolidin-2-yl)morpholine
CID 123776950
2-[5-(1H-benzimidazol-2-yl)-7-(furan-2-yl)-6-(1H-imidazol-2-yl)-1-pyridin-2-yl-4-pyrimidin-2-yl-3-thiophen-2-ylindol-2-yl]quinoline
CID 141084873
1-(1H-benzimidazol-2-yl)-1-(furan-2-yl)-1-(1H-imidazol-2-yl)-2-(1H-indol-2-yl)-2-pyridin-2-yl-1-pyrimidin-2-yl-4-quinolin-2-yl-5-thiophen-2-yl-3H-1,3-thiazole
CID 141169766
5-[7-[4-[2-[7-[4-[2-(5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-benzimidazol-4-yl]furan-2-yl]-5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-benzimidazol-4-yl]thiophen-2-yl]-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol
CID 145033329
bis(1H-benzimidazole);1-benzofuran;1-benzothiophene;2H-benzotriazole;1H-imidazo[4,5-b]pyridine;3H-imidazo[4,5-c]pyridine;1H-indole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;5H-pyrrolo[3,4-b]pyridine;7H-pyrrolo[3,4-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1H-pyrrolo[3,4-c]pyridine;3H-pyrrolo[3,4-c]pyridine
CID 157054861
2-methylfuro[2,3-c]pyridin-7-amine;2-methyl-1H-imidazo[4,5-c]pyridin-4-amine;2-methyl-1H-pyrrolo[2,3-c]pyridin-7-amine;2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;2-methylthieno[2,3-c]pyridin-7-amine;2-methylthieno[3,2-c]pyridin-4-amine
CID 157164474
ethane;methylcyclohexane;2-methylfuran;5-methyl-1H-imidazole;4-methylmorpholine;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;4-methylpiperidine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;2-methyl-1H-pyrrole;2-methylthiophene;3-methylthiophene;toluene
CID 157171659
CID 157179881
CID 157179881

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)furan-2-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[4-(aminomethyl)furan-3-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[2-(aminomethyl)thiophen-3-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[4-(aminomethyl)thiophen-3-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of N-[[3-(aminomethyl)furan-2-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[4-(aminomethyl)furan-3-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[2-(aminomethyl)thiophen-3-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[4-(aminomethyl)thiophen-3-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine (CID 158168070) is N-[[3-(aminomethyl)furan-2-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[4-(aminomethyl)furan-3-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[2-(aminomethyl)thiophen-3-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[4-(aminomethyl)thiophen-3-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for N-[[3-(aminomethyl)furan-2-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[4-(aminomethyl)furan-3-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[2-(aminomethyl)thiophen-3-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[4-(aminomethyl)thiophen-3-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for N-[[3-(aminomethyl)furan-2-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[4-(aminomethyl)furan-3-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[2-(aminomethyl)thiophen-3-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[4-(aminomethyl)thiophen-3-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine is NCc1ccoc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21.NCc1cocc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21.NCc1cscc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21.NCc1ncccc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21.NCc1sccc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21.
What is the InChIKey of N-[[3-(aminomethyl)furan-2-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[4-(aminomethyl)furan-3-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[2-(aminomethyl)thiophen-3-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[4-(aminomethyl)thiophen-3-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is FXCCPELNKBQGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6.2C23H25N5O.2C23H25N5S/c25-14-21-18(8-5-12-26-21)15-30(16-23-28-19-9-1-2-10-20(19)29-23)22-11-3-6-17-7-4-13-27-24(17)22;24-13-17-10-12-29-21(17)14-28(15-22-26-18-7-1-2-8-19(18)27-22)20-9-3-5-16-6-4-11-25-23(16)20;24-11-17-14-29-15-18(17)12-28(13-22-26-19-7-1-2-8-20(19)27-22)21-9-3-5-16-6-4-10-25-23(16)21;24-13-21-17(10-12-29-21)14-28(15-22-26-18-7-1-2-8-19(18)27-22)20-9-3-5-16-6-4-11-25-23(16)20;24-11-17-14-29-15-18(17)12-28(13-22-26-19-7-1-2-8-20(19)27-22)21-9-3-5-16-6-4-10-25-23(16)21/h1-2,4-5,7-10,12-13,22H,3,6,11,14-16,25H2,(H,28,29);1-2,4,6-8,10-12,20H,3,5,9,13-15,24H2,(H,26,27);1-2,4,6-8,10,14-15,21H,3,5,9,11-13,24H2,(H,26,27);1-2,4,6-8,10-12,20H,3,5,9,13-15,24H2,(H,26,27);1-2,4,6-8,10,14-15,21H,3,5,9,11-13,24H2,(H,26,27).
What are the key properties of N-[[3-(aminomethyl)furan-2-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[4-(aminomethyl)furan-3-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[2-(aminomethyl)thiophen-3-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[4-(aminomethyl)thiophen-3-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine?
N-[[3-(aminomethyl)furan-2-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[4-(aminomethyl)furan-3-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[2-(aminomethyl)thiophen-3-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[4-(aminomethyl)thiophen-3-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 1980.60 g/mol, XLogP of 21.19, 30 rotatable bonds, 10 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)furan-2-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[4-(aminomethyl)furan-3-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[2-(aminomethyl)thiophen-3-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[4-(aminomethyl)thiophen-3-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 158168070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).