1H-benzimidazol-2-ylmethyl(methanidyl)azanium;(1-benzylpiperidin-4-yl)-methanidylazanium;[4-(diethylamino)phenyl]-methanidylazanium;(2,6-difluorophenyl)methyl-methanidylazanium;2-(dimethylamino)ethyl-methanidylazanium;3-(dimethylamino)propyl-methanidylazanium;(3-fluorophenyl)methyl-methanidylazanium;furan-2-ylmethyl(methanidyl)azanium;6-hydroxyhexyl(methanidyl)azanium;3-imidazol-1-ylpropyl(methanidyl)azanium;1H-indazol-5-yl(methanidyl)azanium;isoquinolin-5-yl(methanidyl)azanium;1-methanidyl-4-methylpiperazin-1-ium;methanidyl-[2-(1-methylpyrrolidin-2-yl)ethyl]azanium;methanidyl(naphthalen-1-ylmethyl)azanium;methanidyl-[2-(2-oxoimidazolidin-1-yl)ethyl]azanium;methanidyl-(2-oxopiperidin-3-yl)azanium;methanidyl(2-phenylethyl)azanium;methanidyl(3-phenylpropyl)azanium;methanidyl(pyridin-3-ylmethyl)azanium;methanidyl(pyridin-4-ylmethyl)azanium;methanidyl(2-thiophen-2-ylethyl)azanium

C176H285F3N40O4S — CID 157361253

IUPAC1H-benzimidazol-2-ylmethyl(methanidyl)azanium;(1-benzylpiperidin-4-yl)-methanidylazanium;[4-(diethylamino)phenyl]-methanidylazanium;(2,6-difluorophenyl)methyl-methanidylazanium;2-(dimethylamino)ethyl-methanidylazanium;3-(dimethylamino)propyl-methanidylazanium;(3-fluorophenyl)methyl-methanidylazanium;furan-2-ylmethyl(methanidyl)azanium;6-hydroxyhexyl(methanidyl)azanium;3-imidazol-1-ylpropyl(methanidyl)azanium;1H-indazol-5-yl(methanidyl)azanium;isoquinolin-5-yl(methanidyl)azanium;1-methanidyl-4-methylpiperazin-1-ium;methanidyl-[2-(1-methylpyrrolidin-2-yl)ethyl]azanium;methanidyl(naphthalen-1-ylmethyl)azanium;methanidyl-[2-(2-oxoimidazolidin-1-yl)ethyl]azanium;methanidyl-(2-oxopiperidin-3-yl)azanium;methanidyl(2-phenylethyl)azanium;methanidyl(3-phenylpropyl)azanium;methanidyl(pyridin-3-ylmethyl)azanium;methanidyl(pyridin-4-ylmethyl)azanium;methanidyl(2-thiophen-2-ylethyl)azanium
SMILES[CH2-][NH+]1CCN(C)CC1.[CH2-][NH2+]C1CCCNC1=O.[CH2-][NH2+]C1CCN(Cc2ccccc2)CC1.[CH2-][NH2+]CCC1CCCN1C.[CH2-][NH2+]CCCCCCO.[CH2-][NH2+]CCCN(C)C.[CH2-][NH2+]CCCc1ccccc1.[CH2-][NH2+]CCCn1ccnc1.[CH2-][NH2+]CCN(C)C.[CH2-][NH2+]CCN1CCNC1=O.[CH2-][NH2+]CCc1ccccc1.[CH2-][NH2+]CCc1cccs1.[CH2-][NH2+]Cc1c(F)cccc1F.[CH2-][NH2+]Cc1cccc(F)c1.[CH2-][NH2+]Cc1cccc2ccccc12.[CH2-][NH2+]Cc1cccnc1.[CH2-][NH2+]Cc1ccco1.[CH2-][NH2+]Cc1ccncc1.[CH2-][NH2+]Cc1nc2ccccc2[nH]1.[CH2-][NH2+]c1ccc(N(CC)CC)cc1.[CH2-][NH2+]c1ccc2[nH]ncc2c1.[CH2-][NH2+]c1cccc2cnccc12
InChIInChI=1S/C13H20N2.C12H13N.C11H18N2.C10H10N2.C10H15N.C9H11N3.C9H13N.C8H9F2N.C8H10FN.C8H9N3.C8H18N2.C7H13N3.2C7H10N2.C7H17NO.C7H11NS.C6H13N3O.C6H12N2O.C6H14N2.C6H16N2.C6H9NO.C5H14N2/c1-14-13-7-9-15(10-8-13)11-12-5-3-2-4-6-12;1-13-9-11-7-4-6-10-5-2-3-8-12(10)11;1-4-13(5-2)11-8-6-10(12-3)7-9-11;1-11-10-4-2-3-8-7-12-6-5-9(8)10;1-11-9-5-8-10-6-3-2-4-7-10;1-10-6-9-11-7-4-2-3-5-8(7)12-9;1-10-8-7-9-5-3-2-4-6-9;1-11-5-6-7(9)3-2-4-8(6)10;1-10-6-7-3-2-4-8(9)5-7;1-9-7-2-3-8-6(4-7)5-10-11-8;1-9-6-5-8-4-3-7-10(8)2;1-8-3-2-5-10-6-4-9-7-10;1-8-6-7-2-4-9-5-3-7;1-8-5-7-3-2-4-9-6-7;1-8-6-4-2-3-5-7-9;1-8-5-4-7-3-2-6-9-7;1-7-2-4-9-5-3-8-6(9)10;1-7-5-3-2-4-8-6(5)9;1-7-3-5-8(2)6-4-7;1-7-5-4-6-8(2)3;1-7-5-6-3-2-4-8-6;1-6-4-5-7(2)3/h2-6,13H,1,7-11,14H2;2-8H,1,9,13H2;6-9H,3-5,12H2,1-2H3;2-7H,1,11H2;2-4,6-7H,1,5,8-9,11H2;2-5H,1,6,10H2,(H,11,12);2-6H,1,7-8,10H2;2-4H,1,5,11H2;2-5H,1,6,10H2;2-5H,1,9H2,(H,10,11);8H,1,3-7,9H2,2H3;4,6-7H,1-3,5,8H2;2-5H,1,6,8H2;2-4,6H,1,5,8H2;9H,1-8H2;2-3,6H,1,4-5,8H2;1-5,7H2,(H,8,10);5H,1-4,7H2,(H,8,9);7H,1,3-6H2,2H3;1,4-7H2,2-3H3;2-4H,1,5,7H2;1,4-6H2,2-3H3
InChIKeyBIQYICJNKMTXOJ-UHFFFAOYSA-N
MW3114.55 g/mol
LogP3.26
Rot. Bonds57

About 1H-benzimidazol-2-ylmethyl(methanidyl)azanium;(1-benzylpiperidin-4-yl)-methanidylazanium;[4-(diethylamino)phenyl]-methanidylazanium;(2,6-difluorophenyl)methyl-methanidylazanium;2-(dimethylamino)ethyl-methanidylazanium;3-(dimethylamino)propyl-methanidylazanium;(3-fluorophenyl)methyl-methanidylazanium;furan-2-ylmethyl(methanidyl)azanium;6-hydroxyhexyl(methanidyl)azanium;3-imidazol-1-ylpropyl(methanidyl)azanium;1H-indazol-5-yl(methanidyl)azanium;isoquinolin-5-yl(methanidyl)azanium;1-methanidyl-4-methylpiperazin-1-ium;methanidyl-[2-(1-methylpyrrolidin-2-yl)ethyl]azanium;methanidyl(naphthalen-1-ylmethyl)azanium;methanidyl-[2-(2-oxoimidazolidin-1-yl)ethyl]azanium;methanidyl-(2-oxopiperidin-3-yl)azanium;methanidyl(2-phenylethyl)azanium;methanidyl(3-phenylpropyl)azanium;methanidyl(pyridin-3-ylmethyl)azanium;methanidyl(pyridin-4-ylmethyl)azanium;methanidyl(2-thiophen-2-ylethyl)azanium

1H-benzimidazol-2-ylmethyl(methanidyl)azanium;(1-benzylpiperidin-4-yl)-methanidylazanium;[4-(diethylamino)phenyl]-methanidylazanium;(2,6-difluorophenyl)methyl-methanidylazanium;2-(dimethylamino)ethyl-methanidylazanium;3-(dimethylamino)propyl-methanidylazanium;(3-fluorophenyl)methyl-methanidylazanium;furan-2-ylmethyl(methanidyl)azanium;6-hydroxyhexyl(methanidyl)azanium;3-imidazol-1-ylpropyl(methanidyl)azanium;1H-indazol-5-yl(methanidyl)azanium;isoquinolin-5-yl(methanidyl)azanium;1-methanidyl-4-methylpiperazin-1-ium;methanidyl-[2-(1-methylpyrrolidin-2-yl)ethyl]azanium;methanidyl(naphthalen-1-ylmethyl)azanium;methanidyl-[2-(2-oxoimidazolidin-1-yl)ethyl]azanium;methanidyl-(2-oxopiperidin-3-yl)azanium;methanidyl(2-phenylethyl)azanium;methanidyl(3-phenylpropyl)azanium;methanidyl(pyridin-3-ylmethyl)azanium;methanidyl(pyridin-4-ylmethyl)azanium;methanidyl(2-thiophen-2-ylethyl)azanium (PubChem CID 157361253) has the molecular formula C176H285F3N40O4S and a molecular weight of 3114.55 g/mol. Its IUPAC name is 1H-benzimidazol-2-ylmethyl(methanidyl)azanium;(1-benzylpiperidin-4-yl)-methanidylazanium;[4-(diethylamino)phenyl]-methanidylazanium;(2,6-difluorophenyl)methyl-methanidylazanium;2-(dimethylamino)ethyl-methanidylazanium;3-(dimethylamino)propyl-methanidylazanium;(3-fluorophenyl)methyl-methanidylazanium;furan-2-ylmethyl(methanidyl)azanium;6-hydroxyhexyl(methanidyl)azanium;3-imidazol-1-ylpropyl(methanidyl)azanium;1H-indazol-5-yl(methanidyl)azanium;isoquinolin-5-yl(methanidyl)azanium;1-methanidyl-4-methylpiperazin-1-ium;methanidyl-[2-(1-methylpyrrolidin-2-yl)ethyl]azanium;methanidyl(naphthalen-1-ylmethyl)azanium;methanidyl-[2-(2-oxoimidazolidin-1-yl)ethyl]azanium;methanidyl-(2-oxopiperidin-3-yl)azanium;methanidyl(2-phenylethyl)azanium;methanidyl(3-phenylpropyl)azanium;methanidyl(pyridin-3-ylmethyl)azanium;methanidyl(pyridin-4-ylmethyl)azanium;methanidyl(2-thiophen-2-ylethyl)azanium.

Molecular Properties

Compound Name1H-benzimidazol-2-ylmethyl(methanidyl)azanium;(1-benzylpiperidin-4-yl)-methanidylazanium;[4-(diethylamino)phenyl]-methanidylazanium;(2,6-difluorophenyl)methyl-methanidylazanium;2-(dimethylamino)ethyl-methanidylazanium;3-(dimethylamino)propyl-methanidylazanium;(3-fluorophenyl)methyl-methanidylazanium;furan-2-ylmethyl(methanidyl)azanium;6-hydroxyhexyl(methanidyl)azanium;3-imidazol-1-ylpropyl(methanidyl)azanium;1H-indazol-5-yl(methanidyl)azanium;isoquinolin-5-yl(methanidyl)azanium;1-methanidyl-4-methylpiperazin-1-ium;methanidyl-[2-(1-methylpyrrolidin-2-yl)ethyl]azanium;methanidyl(naphthalen-1-ylmethyl)azanium;methanidyl-[2-(2-oxoimidazolidin-1-yl)ethyl]azanium;methanidyl-(2-oxopiperidin-3-yl)azanium;methanidyl(2-phenylethyl)azanium;methanidyl(3-phenylpropyl)azanium;methanidyl(pyridin-3-ylmethyl)azanium;methanidyl(pyridin-4-ylmethyl)azanium;methanidyl(2-thiophen-2-ylethyl)azanium
PubChem CID157361253
Molecular FormulaC176H285F3N40O4S
Molecular Weight3114.55 g/mol
Exact Mass3112.30
IUPAC Name1H-benzimidazol-2-ylmethyl(methanidyl)azanium;(1-benzylpiperidin-4-yl)-methanidylazanium;[4-(diethylamino)phenyl]-methanidylazanium;(2,6-difluorophenyl)methyl-methanidylazanium;2-(dimethylamino)ethyl-methanidylazanium;3-(dimethylamino)propyl-methanidylazanium;(3-fluorophenyl)methyl-methanidylazanium;furan-2-ylmethyl(methanidyl)azanium;6-hydroxyhexyl(methanidyl)azanium;3-imidazol-1-ylpropyl(methanidyl)azanium;1H-indazol-5-yl(methanidyl)azanium;isoquinolin-5-yl(methanidyl)azanium;1-methanidyl-4-methylpiperazin-1-ium;methanidyl-[2-(1-methylpyrrolidin-2-yl)ethyl]azanium;methanidyl(naphthalen-1-ylmethyl)azanium;methanidyl-[2-(2-oxoimidazolidin-1-yl)ethyl]azanium;methanidyl-(2-oxopiperidin-3-yl)azanium;methanidyl(2-phenylethyl)azanium;methanidyl(3-phenylpropyl)azanium;methanidyl(pyridin-3-ylmethyl)azanium;methanidyl(pyridin-4-ylmethyl)azanium;methanidyl(2-thiophen-2-ylethyl)azanium
SMILES[CH2-][NH+]1CCN(C)CC1.[CH2-][NH2+]C1CCCNC1=O.[CH2-][NH2+]C1CCN(Cc2ccccc2)CC1.[CH2-][NH2+]CCC1CCCN1C.[CH2-][NH2+]CCCCCCO.[CH2-][NH2+]CCCN(C)C.[CH2-][NH2+]CCCc1ccccc1.[CH2-][NH2+]CCCn1ccnc1.[CH2-][NH2+]CCN(C)C.[CH2-][NH2+]CCN1CCNC1=O.[CH2-][NH2+]CCc1ccccc1.[CH2-][NH2+]CCc1cccs1.[CH2-][NH2+]Cc1c(F)cccc1F.[CH2-][NH2+]Cc1cccc(F)c1.[CH2-][NH2+]Cc1cccc2ccccc12.[CH2-][NH2+]Cc1cccnc1.[CH2-][NH2+]Cc1ccco1.[CH2-][NH2+]Cc1ccncc1.[CH2-][NH2+]Cc1nc2ccccc2[nH]1.[CH2-][NH2+]c1ccc(N(CC)CC)cc1.[CH2-][NH2+]c1ccc2[nH]ncc2c1.[CH2-][NH2+]c1cccc2cnccc12
InChIInChI=1S/C13H20N2.C12H13N.C11H18N2.C10H10N2.C10H15N.C9H11N3.C9H13N.C8H9F2N.C8H10FN.C8H9N3.C8H18N2.C7H13N3.2C7H10N2.C7H17NO.C7H11NS.C6H13N3O.C6H12N2O.C6H14N2.C6H16N2.C6H9NO.C5H14N2/c1-14-13-7-9-15(10-8-13)11-12-5-3-2-4-6-12;1-13-9-11-7-4-6-10-5-2-3-8-12(10)11;1-4-13(5-2)11-8-6-10(12-3)7-9-11;1-11-10-4-2-3-8-7-12-6-5-9(8)10;1-11-9-5-8-10-6-3-2-4-7-10;1-10-6-9-11-7-4-2-3-5-8(7)12-9;1-10-8-7-9-5-3-2-4-6-9;1-11-5-6-7(9)3-2-4-8(6)10;1-10-6-7-3-2-4-8(9)5-7;1-9-7-2-3-8-6(4-7)5-10-11-8;1-9-6-5-8-4-3-7-10(8)2;1-8-3-2-5-10-6-4-9-7-10;1-8-6-7-2-4-9-5-3-7;1-8-5-7-3-2-4-9-6-7;1-8-6-4-2-3-5-7-9;1-8-5-4-7-3-2-6-9-7;1-7-2-4-9-5-3-8-6(9)10;1-7-5-3-2-4-8-6(5)9;1-7-3-5-8(2)6-4-7;1-7-5-4-6-8(2)3;1-7-5-6-3-2-4-8-6;1-6-4-5-7(2)3/h2-6,13H,1,7-11,14H2;2-8H,1,9,13H2;6-9H,3-5,12H2,1-2H3;2-7H,1,11H2;2-4,6-7H,1,5,8-9,11H2;2-5H,1,6,10H2,(H,11,12);2-6H,1,7-8,10H2;2-4H,1,5,11H2;2-5H,1,6,10H2;2-5H,1,9H2,(H,10,11);8H,1,3-7,9H2,2H3;4,6-7H,1-3,5,8H2;2-5H,1,6,8H2;2-4,6H,1,5,8H2;9H,1-8H2;2-3,6H,1,4-5,8H2;1-5,7H2,(H,8,10);5H,1-4,7H2,(H,8,9);7H,1,3-6H2,2H3;1,4-7H2,2-3H3;2-4H,1,5,7H2;1,4-6H2,2-3H3
InChIKeyBIQYICJNKMTXOJ-UHFFFAOYSA-N
XLogP3.26
TPSA581.35 Ų
H-Bond Donors27
H-Bond Acceptors18
Rotatable Bonds57
Heavy Atoms224
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003114.55
LogP ≤ 53.26
H-Bond Donors ≤ 527
H-Bond Acceptors ≤ 1018

Analyze 1H-benzimidazol-2-ylmethyl(methanidyl)azanium;(1-benzylpiperidin-4-yl)-methanidylazanium;[4-(diethylamino)phenyl]-methanidylazanium;(2,6-difluorophenyl)methyl-methanidylazanium;2-(dimethylamino)ethyl-methanidylazanium;3-(dimethylamino)propyl-methanidylazanium;(3-fluorophenyl)methyl-methanidylazanium;furan-2-ylmethyl(methanidyl)azanium;6-hydroxyhexyl(methanidyl)azanium;3-imidazol-1-ylpropyl(methanidyl)azanium;1H-indazol-5-yl(methanidyl)azanium;isoquinolin-5-yl(methanidyl)azanium;1-methanidyl-4-methylpiperazin-1-ium;methanidyl-[2-(1-methylpyrrolidin-2-yl)ethyl]azanium;methanidyl(naphthalen-1-ylmethyl)azanium;methanidyl-[2-(2-oxoimidazolidin-1-yl)ethyl]azanium;methanidyl-(2-oxopiperidin-3-yl)azanium;methanidyl(2-phenylethyl)azanium;methanidyl(3-phenylpropyl)azanium;methanidyl(pyridin-3-ylmethyl)azanium;methanidyl(pyridin-4-ylmethyl)azanium;methanidyl(2-thiophen-2-ylethyl)azanium with MolForge

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Related Compounds

6-tert-butyl-7,7a-dihydro-1H-indole;3-tert-butyl-1-benzothiophene;5-tert-butyl-2-[6-(dimethylamino)-3-pyridinyl]-1,4-dihydroisoquinolin-3-one;4-tert-butyl-5-fluoro-1H-indole;8-tert-butylisoquinoline;5-tert-butyl-2H-isoquinolin-1-one;4-tert-butyl-2-(4-methoxyphenyl)-3H-isoindol-1-one;4-tert-butyl-2-(1-methylpyrazol-4-yl)-3H-isoindol-1-one;1-tert-butylnaphthalene;5-tert-butylquinazolin-2-amine;5-tert-butyl-1,2,3,4-tetrahydronaphthalene;3-tert-butyl-5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 157246976
2,4-dimethylfuro[3,2-c]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,4-dimethylindole;2,4-dimethyl-1,3-oxazole;2,4-dimethyl-1H-pyrrolo[3,2-c]pyridine;1-methylbenzotriazole;4-methylfuro[3,2-c]pyridine;7-methylfuro[2,3-c]pyridine;2-methyl-1H-imidazole;4-methyl-1H-indazole;1-methylisoquinoline;2-methyl-3-prop-1-enylpyridine;4-methylthieno[2,3-d]pyrimidine;4-methyl-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 157451853
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(furan-3-yl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine
CID 157634317
1-[3-(4-cyclopropyl-1-methylpyrrolo[2,3-b]pyridin-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(2,2-difluorocyclopropyl)-2H-indazol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(2,2-difluorocyclopropyl)-2H-indazol-3-yl]-3-methylbutanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1-methylpyrrolo[2,3-b]pyridin-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorothiophen-2-yl)-1-methylpyrrolo[2,3-b]pyridin-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[4-methyl-3-(4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid
CID 157663488
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine;N,N-dimethyl-5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;N-[5-[3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide;5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide
CID 158286996
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine;N,N-dimethyl-5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;3,3-dimethyl-N-[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide
CID 158732130
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine;N,N-dimethyl-5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide
CID 158741564
6-(1-tert-butylcyclopropyl)-1H-benzimidazole;6-(1-tert-butylcyclopropyl)cinnoline;5-(1-tert-butylcyclopropyl)-1H-indazole;(1-tert-butylcyclopropyl)methylbenzene;2-[(1-tert-butylcyclopropyl)methyl]-5-fluoropyridine;2-[(1-tert-butylcyclopropyl)methyl]furan;4-[(1-tert-butylcyclopropyl)methyl]pyridazine;2-[(1-tert-butylcyclopropyl)methyl]pyridine;3-[(1-tert-butylcyclopropyl)methyl]pyridine;4-[(1-tert-butylcyclopropyl)methyl]pyridine;6-[(1-tert-butylcyclopropyl)methyl]quinoline;6-[(1-tert-butylcyclopropyl)methyl]quinoxaline;2-[(1-tert-butylcyclopropyl)methyl]thiophene;2-[(1-tert-butylcyclopropyl)methyl]-5-(trifluoromethyl)pyridine;7-(1-tert-butylcyclopropyl)quinoline;6-(1-tert-butylcyclopropyl)quinoxaline
CID 158836849
3-tert-butyl-1-benzothiophene;5-tert-butyl-2-[6-(dimethylamino)-3-pyridinyl]-1,4-dihydroisoquinolin-3-one;4-tert-butyl-5-fluoro-1H-indole;8-tert-butylisoquinoline;5-tert-butyl-2H-isoquinolin-1-one;4-tert-butyl-2-(4-methoxyphenyl)-3H-isoindol-1-one;1-tert-butyl-6-(1-methylpyrazol-4-yl)indole;4-tert-butyl-2-(1-methylpyrazol-4-yl)-3H-isoindol-1-one;8-tert-butyl-2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridine;5-tert-butylquinazolin-2-amine;5-tert-butyl-1,2,3,4-tetrahydronaphthalene;3-tert-butyl-5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine;8-tert-butyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine
CID 159061409
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(furan-3-yl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(5-methyl-1H-imidazol-3-ium-3-yl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine
CID 159968877
2-N-(3H-benzimidazol-5-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-(furan-2-ylmethyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[4-(1,2,4-triazol-1-yl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine
CID 160035847
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine;N,N-dimethyl-5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide
CID 160112052

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-ylmethyl(methanidyl)azanium;(1-benzylpiperidin-4-yl)-methanidylazanium;[4-(diethylamino)phenyl]-methanidylazanium;(2,6-difluorophenyl)methyl-methanidylazanium;2-(dimethylamino)ethyl-methanidylazanium;3-(dimethylamino)propyl-methanidylazanium;(3-fluorophenyl)methyl-methanidylazanium;furan-2-ylmethyl(methanidyl)azanium;6-hydroxyhexyl(methanidyl)azanium;3-imidazol-1-ylpropyl(methanidyl)azanium;1H-indazol-5-yl(methanidyl)azanium;isoquinolin-5-yl(methanidyl)azanium;1-methanidyl-4-methylpiperazin-1-ium;methanidyl-[2-(1-methylpyrrolidin-2-yl)ethyl]azanium;methanidyl(naphthalen-1-ylmethyl)azanium;methanidyl-[2-(2-oxoimidazolidin-1-yl)ethyl]azanium;methanidyl-(2-oxopiperidin-3-yl)azanium;methanidyl(2-phenylethyl)azanium;methanidyl(3-phenylpropyl)azanium;methanidyl(pyridin-3-ylmethyl)azanium;methanidyl(pyridin-4-ylmethyl)azanium;methanidyl(2-thiophen-2-ylethyl)azanium?
The IUPAC name of 1H-benzimidazol-2-ylmethyl(methanidyl)azanium;(1-benzylpiperidin-4-yl)-methanidylazanium;[4-(diethylamino)phenyl]-methanidylazanium;(2,6-difluorophenyl)methyl-methanidylazanium;2-(dimethylamino)ethyl-methanidylazanium;3-(dimethylamino)propyl-methanidylazanium;(3-fluorophenyl)methyl-methanidylazanium;furan-2-ylmethyl(methanidyl)azanium;6-hydroxyhexyl(methanidyl)azanium;3-imidazol-1-ylpropyl(methanidyl)azanium;1H-indazol-5-yl(methanidyl)azanium;isoquinolin-5-yl(methanidyl)azanium;1-methanidyl-4-methylpiperazin-1-ium;methanidyl-[2-(1-methylpyrrolidin-2-yl)ethyl]azanium;methanidyl(naphthalen-1-ylmethyl)azanium;methanidyl-[2-(2-oxoimidazolidin-1-yl)ethyl]azanium;methanidyl-(2-oxopiperidin-3-yl)azanium;methanidyl(2-phenylethyl)azanium;methanidyl(3-phenylpropyl)azanium;methanidyl(pyridin-3-ylmethyl)azanium;methanidyl(pyridin-4-ylmethyl)azanium;methanidyl(2-thiophen-2-ylethyl)azanium (CID 157361253) is 1H-benzimidazol-2-ylmethyl(methanidyl)azanium;(1-benzylpiperidin-4-yl)-methanidylazanium;[4-(diethylamino)phenyl]-methanidylazanium;(2,6-difluorophenyl)methyl-methanidylazanium;2-(dimethylamino)ethyl-methanidylazanium;3-(dimethylamino)propyl-methanidylazanium;(3-fluorophenyl)methyl-methanidylazanium;furan-2-ylmethyl(methanidyl)azanium;6-hydroxyhexyl(methanidyl)azanium;3-imidazol-1-ylpropyl(methanidyl)azanium;1H-indazol-5-yl(methanidyl)azanium;isoquinolin-5-yl(methanidyl)azanium;1-methanidyl-4-methylpiperazin-1-ium;methanidyl-[2-(1-methylpyrrolidin-2-yl)ethyl]azanium;methanidyl(naphthalen-1-ylmethyl)azanium;methanidyl-[2-(2-oxoimidazolidin-1-yl)ethyl]azanium;methanidyl-(2-oxopiperidin-3-yl)azanium;methanidyl(2-phenylethyl)azanium;methanidyl(3-phenylpropyl)azanium;methanidyl(pyridin-3-ylmethyl)azanium;methanidyl(pyridin-4-ylmethyl)azanium;methanidyl(2-thiophen-2-ylethyl)azanium.
What is the SMILES notation for 1H-benzimidazol-2-ylmethyl(methanidyl)azanium;(1-benzylpiperidin-4-yl)-methanidylazanium;[4-(diethylamino)phenyl]-methanidylazanium;(2,6-difluorophenyl)methyl-methanidylazanium;2-(dimethylamino)ethyl-methanidylazanium;3-(dimethylamino)propyl-methanidylazanium;(3-fluorophenyl)methyl-methanidylazanium;furan-2-ylmethyl(methanidyl)azanium;6-hydroxyhexyl(methanidyl)azanium;3-imidazol-1-ylpropyl(methanidyl)azanium;1H-indazol-5-yl(methanidyl)azanium;isoquinolin-5-yl(methanidyl)azanium;1-methanidyl-4-methylpiperazin-1-ium;methanidyl-[2-(1-methylpyrrolidin-2-yl)ethyl]azanium;methanidyl(naphthalen-1-ylmethyl)azanium;methanidyl-[2-(2-oxoimidazolidin-1-yl)ethyl]azanium;methanidyl-(2-oxopiperidin-3-yl)azanium;methanidyl(2-phenylethyl)azanium;methanidyl(3-phenylpropyl)azanium;methanidyl(pyridin-3-ylmethyl)azanium;methanidyl(pyridin-4-ylmethyl)azanium;methanidyl(2-thiophen-2-ylethyl)azanium?
The canonical SMILES for 1H-benzimidazol-2-ylmethyl(methanidyl)azanium;(1-benzylpiperidin-4-yl)-methanidylazanium;[4-(diethylamino)phenyl]-methanidylazanium;(2,6-difluorophenyl)methyl-methanidylazanium;2-(dimethylamino)ethyl-methanidylazanium;3-(dimethylamino)propyl-methanidylazanium;(3-fluorophenyl)methyl-methanidylazanium;furan-2-ylmethyl(methanidyl)azanium;6-hydroxyhexyl(methanidyl)azanium;3-imidazol-1-ylpropyl(methanidyl)azanium;1H-indazol-5-yl(methanidyl)azanium;isoquinolin-5-yl(methanidyl)azanium;1-methanidyl-4-methylpiperazin-1-ium;methanidyl-[2-(1-methylpyrrolidin-2-yl)ethyl]azanium;methanidyl(naphthalen-1-ylmethyl)azanium;methanidyl-[2-(2-oxoimidazolidin-1-yl)ethyl]azanium;methanidyl-(2-oxopiperidin-3-yl)azanium;methanidyl(2-phenylethyl)azanium;methanidyl(3-phenylpropyl)azanium;methanidyl(pyridin-3-ylmethyl)azanium;methanidyl(pyridin-4-ylmethyl)azanium;methanidyl(2-thiophen-2-ylethyl)azanium is [CH2-][NH+]1CCN(C)CC1.[CH2-][NH2+]C1CCCNC1=O.[CH2-][NH2+]C1CCN(Cc2ccccc2)CC1.[CH2-][NH2+]CCC1CCCN1C.[CH2-][NH2+]CCCCCCO.[CH2-][NH2+]CCCN(C)C.[CH2-][NH2+]CCCc1ccccc1.[CH2-][NH2+]CCCn1ccnc1.[CH2-][NH2+]CCN(C)C.[CH2-][NH2+]CCN1CCNC1=O.[CH2-][NH2+]CCc1ccccc1.[CH2-][NH2+]CCc1cccs1.[CH2-][NH2+]Cc1c(F)cccc1F.[CH2-][NH2+]Cc1cccc(F)c1.[CH2-][NH2+]Cc1cccc2ccccc12.[CH2-][NH2+]Cc1cccnc1.[CH2-][NH2+]Cc1ccco1.[CH2-][NH2+]Cc1ccncc1.[CH2-][NH2+]Cc1nc2ccccc2[nH]1.[CH2-][NH2+]c1ccc(N(CC)CC)cc1.[CH2-][NH2+]c1ccc2[nH]ncc2c1.[CH2-][NH2+]c1cccc2cnccc12.
What is the InChIKey of 1H-benzimidazol-2-ylmethyl(methanidyl)azanium;(1-benzylpiperidin-4-yl)-methanidylazanium;[4-(diethylamino)phenyl]-methanidylazanium;(2,6-difluorophenyl)methyl-methanidylazanium;2-(dimethylamino)ethyl-methanidylazanium;3-(dimethylamino)propyl-methanidylazanium;(3-fluorophenyl)methyl-methanidylazanium;furan-2-ylmethyl(methanidyl)azanium;6-hydroxyhexyl(methanidyl)azanium;3-imidazol-1-ylpropyl(methanidyl)azanium;1H-indazol-5-yl(methanidyl)azanium;isoquinolin-5-yl(methanidyl)azanium;1-methanidyl-4-methylpiperazin-1-ium;methanidyl-[2-(1-methylpyrrolidin-2-yl)ethyl]azanium;methanidyl(naphthalen-1-ylmethyl)azanium;methanidyl-[2-(2-oxoimidazolidin-1-yl)ethyl]azanium;methanidyl-(2-oxopiperidin-3-yl)azanium;methanidyl(2-phenylethyl)azanium;methanidyl(3-phenylpropyl)azanium;methanidyl(pyridin-3-ylmethyl)azanium;methanidyl(pyridin-4-ylmethyl)azanium;methanidyl(2-thiophen-2-ylethyl)azanium?
The InChIKey is BIQYICJNKMTXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2.C12H13N.C11H18N2.C10H10N2.C10H15N.C9H11N3.C9H13N.C8H9F2N.C8H10FN.C8H9N3.C8H18N2.C7H13N3.2C7H10N2.C7H17NO.C7H11NS.C6H13N3O.C6H12N2O.C6H14N2.C6H16N2.C6H9NO.C5H14N2/c1-14-13-7-9-15(10-8-13)11-12-5-3-2-4-6-12;1-13-9-11-7-4-6-10-5-2-3-8-12(10)11;1-4-13(5-2)11-8-6-10(12-3)7-9-11;1-11-10-4-2-3-8-7-12-6-5-9(8)10;1-11-9-5-8-10-6-3-2-4-7-10;1-10-6-9-11-7-4-2-3-5-8(7)12-9;1-10-8-7-9-5-3-2-4-6-9;1-11-5-6-7(9)3-2-4-8(6)10;1-10-6-7-3-2-4-8(9)5-7;1-9-7-2-3-8-6(4-7)5-10-11-8;1-9-6-5-8-4-3-7-10(8)2;1-8-3-2-5-10-6-4-9-7-10;1-8-6-7-2-4-9-5-3-7;1-8-5-7-3-2-4-9-6-7;1-8-6-4-2-3-5-7-9;1-8-5-4-7-3-2-6-9-7;1-7-2-4-9-5-3-8-6(9)10;1-7-5-3-2-4-8-6(5)9;1-7-3-5-8(2)6-4-7;1-7-5-4-6-8(2)3;1-7-5-6-3-2-4-8-6;1-6-4-5-7(2)3/h2-6,13H,1,7-11,14H2;2-8H,1,9,13H2;6-9H,3-5,12H2,1-2H3;2-7H,1,11H2;2-4,6-7H,1,5,8-9,11H2;2-5H,1,6,10H2,(H,11,12);2-6H,1,7-8,10H2;2-4H,1,5,11H2;2-5H,1,6,10H2;2-5H,1,9H2,(H,10,11);8H,1,3-7,9H2,2H3;4,6-7H,1-3,5,8H2;2-5H,1,6,8H2;2-4,6H,1,5,8H2;9H,1-8H2;2-3,6H,1,4-5,8H2;1-5,7H2,(H,8,10);5H,1-4,7H2,(H,8,9);7H,1,3-6H2,2H3;1,4-7H2,2-3H3;2-4H,1,5,7H2;1,4-6H2,2-3H3.
What are the key properties of 1H-benzimidazol-2-ylmethyl(methanidyl)azanium;(1-benzylpiperidin-4-yl)-methanidylazanium;[4-(diethylamino)phenyl]-methanidylazanium;(2,6-difluorophenyl)methyl-methanidylazanium;2-(dimethylamino)ethyl-methanidylazanium;3-(dimethylamino)propyl-methanidylazanium;(3-fluorophenyl)methyl-methanidylazanium;furan-2-ylmethyl(methanidyl)azanium;6-hydroxyhexyl(methanidyl)azanium;3-imidazol-1-ylpropyl(methanidyl)azanium;1H-indazol-5-yl(methanidyl)azanium;isoquinolin-5-yl(methanidyl)azanium;1-methanidyl-4-methylpiperazin-1-ium;methanidyl-[2-(1-methylpyrrolidin-2-yl)ethyl]azanium;methanidyl(naphthalen-1-ylmethyl)azanium;methanidyl-[2-(2-oxoimidazolidin-1-yl)ethyl]azanium;methanidyl-(2-oxopiperidin-3-yl)azanium;methanidyl(2-phenylethyl)azanium;methanidyl(3-phenylpropyl)azanium;methanidyl(pyridin-3-ylmethyl)azanium;methanidyl(pyridin-4-ylmethyl)azanium;methanidyl(2-thiophen-2-ylethyl)azanium?
1H-benzimidazol-2-ylmethyl(methanidyl)azanium;(1-benzylpiperidin-4-yl)-methanidylazanium;[4-(diethylamino)phenyl]-methanidylazanium;(2,6-difluorophenyl)methyl-methanidylazanium;2-(dimethylamino)ethyl-methanidylazanium;3-(dimethylamino)propyl-methanidylazanium;(3-fluorophenyl)methyl-methanidylazanium;furan-2-ylmethyl(methanidyl)azanium;6-hydroxyhexyl(methanidyl)azanium;3-imidazol-1-ylpropyl(methanidyl)azanium;1H-indazol-5-yl(methanidyl)azanium;isoquinolin-5-yl(methanidyl)azanium;1-methanidyl-4-methylpiperazin-1-ium;methanidyl-[2-(1-methylpyrrolidin-2-yl)ethyl]azanium;methanidyl(naphthalen-1-ylmethyl)azanium;methanidyl-[2-(2-oxoimidazolidin-1-yl)ethyl]azanium;methanidyl-(2-oxopiperidin-3-yl)azanium;methanidyl(2-phenylethyl)azanium;methanidyl(3-phenylpropyl)azanium;methanidyl(pyridin-3-ylmethyl)azanium;methanidyl(pyridin-4-ylmethyl)azanium;methanidyl(2-thiophen-2-ylethyl)azanium has a molecular weight of 3114.55 g/mol, XLogP of 3.26, 57 rotatable bonds, 27 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazol-2-ylmethyl(methanidyl)azanium;(1-benzylpiperidin-4-yl)-methanidylazanium;[4-(diethylamino)phenyl]-methanidylazanium;(2,6-difluorophenyl)methyl-methanidylazanium;2-(dimethylamino)ethyl-methanidylazanium;3-(dimethylamino)propyl-methanidylazanium;(3-fluorophenyl)methyl-methanidylazanium;furan-2-ylmethyl(methanidyl)azanium;6-hydroxyhexyl(methanidyl)azanium;3-imidazol-1-ylpropyl(methanidyl)azanium;1H-indazol-5-yl(methanidyl)azanium;isoquinolin-5-yl(methanidyl)azanium;1-methanidyl-4-methylpiperazin-1-ium;methanidyl-[2-(1-methylpyrrolidin-2-yl)ethyl]azanium;methanidyl(naphthalen-1-ylmethyl)azanium;methanidyl-[2-(2-oxoimidazolidin-1-yl)ethyl]azanium;methanidyl-(2-oxopiperidin-3-yl)azanium;methanidyl(2-phenylethyl)azanium;methanidyl(3-phenylpropyl)azanium;methanidyl(pyridin-3-ylmethyl)azanium;methanidyl(pyridin-4-ylmethyl)azanium;methanidyl(2-thiophen-2-ylethyl)azanium is sourced from PubChem (CID 157361253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).