(5S)-1,5-dimethyl-4-(2-methylphenyl)-5H-tetrazole;1,4-dimethyl-5-(2-methylphenyl)tetrazol-1-ium;ethane;1-methyl-2-(2-methylcyclopenta-1,4-dien-1-yl)pyridin-1-ium;1-methyl-2-(1-methylimidazol-2-yl)pyridin-1-ium;1-methyl-2-(3-methylimidazol-4-yl)pyridin-1-ium;3-methyl-2-(2-methylphenyl)-1H-benzimidazol-3-ium;(2S)-2-methyl-3-(2-methylphenyl)-1,2-dihydrobenzimidazole;(2S)-2-methyl-3-(2-methylphenyl)-1,2-dihydroimidazole;(3S)-3-methyl-2-(2-methylphenyl)-1,3-dihydro-1,2,4-triazole;(5R)-5-methyl-4-(2-methylphenyl)-1,5-dihydro-1,2,4-triazole;3-methyl-2-(2-methylphenyl)-1H-imidazol-3-ium;3-methyl-2-(2-methylphenyl)-1,3-oxazol-3-ium;3-methyl-2-(2-methylphenyl)-1,3-thiazol-3-ium;2-methyl-3-(2-methylphenyl)-1H-1,2,4-triazol-2-ium;4-methyl-5-(2-methylphenyl)-1H-1,2,4-triazol-4-ium;2-methyl-3-(1-methylpyridin-1-ium-2-yl)pyridine;3-methyl-4-(1-methylpyridin-1-ium-2-yl)pyridine;4-methyl-3-(1-methylpyridin-1-ium-2-yl)pyridine;1-methyl-2-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(1-methylpyrrol-2-yl)pyridin-1-ium

C301H491N47OS+16 — CID 158580245

IUPAC(5S)-1,5-dimethyl-4-(2-methylphenyl)-5H-tetrazole;1,4-dimethyl-5-(2-methylphenyl)tetrazol-1-ium;ethane;1-methyl-2-(2-methylcyclopenta-1,4-dien-1-yl)pyridin-1-ium;1-methyl-2-(1-methylimidazol-2-yl)pyridin-1-ium;1-methyl-2-(3-methylimidazol-4-yl)pyridin-1-ium;3-methyl-2-(2-methylphenyl)-1H-benzimidazol-3-ium;(2S)-2-methyl-3-(2-methylphenyl)-1,2-dihydrobenzimidazole;(2S)-2-methyl-3-(2-methylphenyl)-1,2-dihydroimidazole;(3S)-3-methyl-2-(2-methylphenyl)-1,3-dihydro-1,2,4-triazole;(5R)-5-methyl-4-(2-methylphenyl)-1,5-dihydro-1,2,4-triazole;3-methyl-2-(2-methylphenyl)-1H-imidazol-3-ium;3-methyl-2-(2-methylphenyl)-1,3-oxazol-3-ium;3-methyl-2-(2-methylphenyl)-1,3-thiazol-3-ium;2-methyl-3-(2-methylphenyl)-1H-1,2,4-triazol-2-ium;4-methyl-5-(2-methylphenyl)-1H-1,2,4-triazol-4-ium;2-methyl-3-(1-methylpyridin-1-ium-2-yl)pyridine;3-methyl-4-(1-methylpyridin-1-ium-2-yl)pyridine;4-methyl-3-(1-methylpyridin-1-ium-2-yl)pyridine;1-methyl-2-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(1-methylpyrrol-2-yl)pyridin-1-ium
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1=C(c2cccc[n+]2C)C=CC1.C[n+]1ccccc1-c1cccc[n+]1C.Cc1ccccc1-c1[nH]c2ccccc2[n+]1C.Cc1ccccc1-c1[nH]cc[n+]1C.Cc1ccccc1-c1[nH]nc[n+]1C.Cc1ccccc1-c1n(C)nn[n+]1C.Cc1ccccc1-c1nc[nH][n+]1C.Cc1ccccc1-c1occ[n+]1C.Cc1ccccc1-c1scc[n+]1C.Cc1ccccc1N1C=CN[C@@H]1C.Cc1ccccc1N1C=NN[C@@H]1C.Cc1ccccc1N1N=NN(C)[C@@H]1C.Cc1ccccc1N1NC=N[C@@H]1C.Cc1ccccc1N1c2ccccc2N[C@@H]1C.Cc1ccncc1-c1cccc[n+]1C.Cc1cnccc1-c1cccc[n+]1C.Cc1ncccc1-c1cccc[n+]1C.Cn1cccc1-c1cccc[n+]1C.Cn1ccnc1-c1cccc[n+]1C.Cn1cncc1-c1cccc[n+]1C
InChIInChI=1S/C15H16N2.C15H14N2.C12H14N2.3C12H13N2.C12H14N.C11H13N2.C11H12N2.C11H14N2.C11H12NO.C11H12NS.C10H13N4.C10H14N4.2C10H12N3.2C10H11N3.2C10H13N3.38C2H6/c1-11-7-3-5-9-14(11)17-12(2)16-13-8-4-6-10-15(13)17;1-11-7-3-4-8-12(11)15-16-13-9-5-6-10-14(13)17(15)2;1-13-9-5-3-7-11(13)12-8-4-6-10-14(12)2;1-10-11(6-5-8-13-10)12-7-3-4-9-14(12)2;1-10-9-13-7-6-11(10)12-5-3-4-8-14(12)2;1-10-6-7-13-9-11(10)12-5-3-4-8-14(12)2;1-10-6-5-7-11(10)12-8-3-4-9-13(12)2;1-12-8-4-3-6-10(12)11-7-5-9-13(11)2;1-9-5-3-4-6-10(9)11-12-7-8-13(11)2;1-9-5-3-4-6-11(9)13-8-7-12-10(13)2;2*1-9-5-3-4-6-10(9)11-12(2)7-8-13-11;1-8-6-4-5-7-9(8)10-13(2)11-12-14(10)3;1-8-6-4-5-7-10(8)14-9(2)13(3)11-12-14;1-12-7-4-3-5-9(12)10-11-6-8-13(10)2;1-12-6-4-3-5-9(12)10-7-11-8-13(10)2;1-8-5-3-4-6-9(8)10-12-11-7-13(10)2;1-8-5-3-4-6-9(8)10-11-7-12-13(10)2;1-8-5-3-4-6-10(8)13-7-11-12-9(13)2;1-8-5-3-4-6-10(8)13-9(2)11-7-12-13;38*1-2/h3-10,12,16H,1-2H3;3-10H,1-2H3;3-10H,1-2H3;3*3-9H,1-2H3;3-5,7-9H,6H2,1-2H3;3-9H,1-2H3;3-8H,1-2H3;3-8,10,12H,1-2H3;2*3-8H,1-2H3;4-7H,1-3H3;4-7,9H,1-3H3;2*3-8H,1-2H3;2*3-7H,1-2H3;3-7,9,12H,1-2H3;3-7,9H,1-2H3,(H,11,12);38*1-2H3/q;;+2;5*+1;;;3*+1;;2*+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p+4/t12-;;;;;;;;;10-;;;;9-;;;;;2*9-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/m0........0...0....00....................................../s1
InChIKeyZGRAIPUOZWVULO-GPPKKPONSA-R
MW4816.63 g/mol
LogP75.56
Rot. Bonds20

About (5S)-1,5-dimethyl-4-(2-methylphenyl)-5H-tetrazole;1,4-dimethyl-5-(2-methylphenyl)tetrazol-1-ium;ethane;1-methyl-2-(2-methylcyclopenta-1,4-dien-1-yl)pyridin-1-ium;1-methyl-2-(1-methylimidazol-2-yl)pyridin-1-ium;1-methyl-2-(3-methylimidazol-4-yl)pyridin-1-ium;3-methyl-2-(2-methylphenyl)-1H-benzimidazol-3-ium;(2S)-2-methyl-3-(2-methylphenyl)-1,2-dihydrobenzimidazole;(2S)-2-methyl-3-(2-methylphenyl)-1,2-dihydroimidazole;(3S)-3-methyl-2-(2-methylphenyl)-1,3-dihydro-1,2,4-triazole;(5R)-5-methyl-4-(2-methylphenyl)-1,5-dihydro-1,2,4-triazole;3-methyl-2-(2-methylphenyl)-1H-imidazol-3-ium;3-methyl-2-(2-methylphenyl)-1,3-oxazol-3-ium;3-methyl-2-(2-methylphenyl)-1,3-thiazol-3-ium;2-methyl-3-(2-methylphenyl)-1H-1,2,4-triazol-2-ium;4-methyl-5-(2-methylphenyl)-1H-1,2,4-triazol-4-ium;2-methyl-3-(1-methylpyridin-1-ium-2-yl)pyridine;3-methyl-4-(1-methylpyridin-1-ium-2-yl)pyridine;4-methyl-3-(1-methylpyridin-1-ium-2-yl)pyridine;1-methyl-2-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(1-methylpyrrol-2-yl)pyridin-1-ium

(5S)-1,5-dimethyl-4-(2-methylphenyl)-5H-tetrazole;1,4-dimethyl-5-(2-methylphenyl)tetrazol-1-ium;ethane;1-methyl-2-(2-methylcyclopenta-1,4-dien-1-yl)pyridin-1-ium;1-methyl-2-(1-methylimidazol-2-yl)pyridin-1-ium;1-methyl-2-(3-methylimidazol-4-yl)pyridin-1-ium;3-methyl-2-(2-methylphenyl)-1H-benzimidazol-3-ium;(2S)-2-methyl-3-(2-methylphenyl)-1,2-dihydrobenzimidazole;(2S)-2-methyl-3-(2-methylphenyl)-1,2-dihydroimidazole;(3S)-3-methyl-2-(2-methylphenyl)-1,3-dihydro-1,2,4-triazole;(5R)-5-methyl-4-(2-methylphenyl)-1,5-dihydro-1,2,4-triazole;3-methyl-2-(2-methylphenyl)-1H-imidazol-3-ium;3-methyl-2-(2-methylphenyl)-1,3-oxazol-3-ium;3-methyl-2-(2-methylphenyl)-1,3-thiazol-3-ium;2-methyl-3-(2-methylphenyl)-1H-1,2,4-triazol-2-ium;4-methyl-5-(2-methylphenyl)-1H-1,2,4-triazol-4-ium;2-methyl-3-(1-methylpyridin-1-ium-2-yl)pyridine;3-methyl-4-(1-methylpyridin-1-ium-2-yl)pyridine;4-methyl-3-(1-methylpyridin-1-ium-2-yl)pyridine;1-methyl-2-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(1-methylpyrrol-2-yl)pyridin-1-ium (PubChem CID 158580245) has the molecular formula C301H491N47OS+16 and a molecular weight of 4816.63 g/mol. Its IUPAC name is (5S)-1,5-dimethyl-4-(2-methylphenyl)-5H-tetrazole;1,4-dimethyl-5-(2-methylphenyl)tetrazol-1-ium;ethane;1-methyl-2-(2-methylcyclopenta-1,4-dien-1-yl)pyridin-1-ium;1-methyl-2-(1-methylimidazol-2-yl)pyridin-1-ium;1-methyl-2-(3-methylimidazol-4-yl)pyridin-1-ium;3-methyl-2-(2-methylphenyl)-1H-benzimidazol-3-ium;(2S)-2-methyl-3-(2-methylphenyl)-1,2-dihydrobenzimidazole;(2S)-2-methyl-3-(2-methylphenyl)-1,2-dihydroimidazole;(3S)-3-methyl-2-(2-methylphenyl)-1,3-dihydro-1,2,4-triazole;(5R)-5-methyl-4-(2-methylphenyl)-1,5-dihydro-1,2,4-triazole;3-methyl-2-(2-methylphenyl)-1H-imidazol-3-ium;3-methyl-2-(2-methylphenyl)-1,3-oxazol-3-ium;3-methyl-2-(2-methylphenyl)-1,3-thiazol-3-ium;2-methyl-3-(2-methylphenyl)-1H-1,2,4-triazol-2-ium;4-methyl-5-(2-methylphenyl)-1H-1,2,4-triazol-4-ium;2-methyl-3-(1-methylpyridin-1-ium-2-yl)pyridine;3-methyl-4-(1-methylpyridin-1-ium-2-yl)pyridine;4-methyl-3-(1-methylpyridin-1-ium-2-yl)pyridine;1-methyl-2-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(1-methylpyrrol-2-yl)pyridin-1-ium.

Molecular Properties

Compound Name(5S)-1,5-dimethyl-4-(2-methylphenyl)-5H-tetrazole;1,4-dimethyl-5-(2-methylphenyl)tetrazol-1-ium;ethane;1-methyl-2-(2-methylcyclopenta-1,4-dien-1-yl)pyridin-1-ium;1-methyl-2-(1-methylimidazol-2-yl)pyridin-1-ium;1-methyl-2-(3-methylimidazol-4-yl)pyridin-1-ium;3-methyl-2-(2-methylphenyl)-1H-benzimidazol-3-ium;(2S)-2-methyl-3-(2-methylphenyl)-1,2-dihydrobenzimidazole;(2S)-2-methyl-3-(2-methylphenyl)-1,2-dihydroimidazole;(3S)-3-methyl-2-(2-methylphenyl)-1,3-dihydro-1,2,4-triazole;(5R)-5-methyl-4-(2-methylphenyl)-1,5-dihydro-1,2,4-triazole;3-methyl-2-(2-methylphenyl)-1H-imidazol-3-ium;3-methyl-2-(2-methylphenyl)-1,3-oxazol-3-ium;3-methyl-2-(2-methylphenyl)-1,3-thiazol-3-ium;2-methyl-3-(2-methylphenyl)-1H-1,2,4-triazol-2-ium;4-methyl-5-(2-methylphenyl)-1H-1,2,4-triazol-4-ium;2-methyl-3-(1-methylpyridin-1-ium-2-yl)pyridine;3-methyl-4-(1-methylpyridin-1-ium-2-yl)pyridine;4-methyl-3-(1-methylpyridin-1-ium-2-yl)pyridine;1-methyl-2-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(1-methylpyrrol-2-yl)pyridin-1-ium
PubChem CID158580245
Molecular FormulaC301H491N47OS+16
Molecular Weight4816.63 g/mol
Exact Mass4812.94
IUPAC Name(5S)-1,5-dimethyl-4-(2-methylphenyl)-5H-tetrazole;1,4-dimethyl-5-(2-methylphenyl)tetrazol-1-ium;ethane;1-methyl-2-(2-methylcyclopenta-1,4-dien-1-yl)pyridin-1-ium;1-methyl-2-(1-methylimidazol-2-yl)pyridin-1-ium;1-methyl-2-(3-methylimidazol-4-yl)pyridin-1-ium;3-methyl-2-(2-methylphenyl)-1H-benzimidazol-3-ium;(2S)-2-methyl-3-(2-methylphenyl)-1,2-dihydrobenzimidazole;(2S)-2-methyl-3-(2-methylphenyl)-1,2-dihydroimidazole;(3S)-3-methyl-2-(2-methylphenyl)-1,3-dihydro-1,2,4-triazole;(5R)-5-methyl-4-(2-methylphenyl)-1,5-dihydro-1,2,4-triazole;3-methyl-2-(2-methylphenyl)-1H-imidazol-3-ium;3-methyl-2-(2-methylphenyl)-1,3-oxazol-3-ium;3-methyl-2-(2-methylphenyl)-1,3-thiazol-3-ium;2-methyl-3-(2-methylphenyl)-1H-1,2,4-triazol-2-ium;4-methyl-5-(2-methylphenyl)-1H-1,2,4-triazol-4-ium;2-methyl-3-(1-methylpyridin-1-ium-2-yl)pyridine;3-methyl-4-(1-methylpyridin-1-ium-2-yl)pyridine;4-methyl-3-(1-methylpyridin-1-ium-2-yl)pyridine;1-methyl-2-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(1-methylpyrrol-2-yl)pyridin-1-ium
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1=C(c2cccc[n+]2C)C=CC1.C[n+]1ccccc1-c1cccc[n+]1C.Cc1ccccc1-c1[nH]c2ccccc2[n+]1C.Cc1ccccc1-c1[nH]cc[n+]1C.Cc1ccccc1-c1[nH]nc[n+]1C.Cc1ccccc1-c1n(C)nn[n+]1C.Cc1ccccc1-c1nc[nH][n+]1C.Cc1ccccc1-c1occ[n+]1C.Cc1ccccc1-c1scc[n+]1C.Cc1ccccc1N1C=CN[C@@H]1C.Cc1ccccc1N1C=NN[C@@H]1C.Cc1ccccc1N1N=NN(C)[C@@H]1C.Cc1ccccc1N1NC=N[C@@H]1C.Cc1ccccc1N1c2ccccc2N[C@@H]1C.Cc1ccncc1-c1cccc[n+]1C.Cc1cnccc1-c1cccc[n+]1C.Cc1ncccc1-c1cccc[n+]1C.Cn1cccc1-c1cccc[n+]1C.Cn1ccnc1-c1cccc[n+]1C.Cn1cncc1-c1cccc[n+]1C
InChIInChI=1S/C15H16N2.C15H14N2.C12H14N2.3C12H13N2.C12H14N.C11H13N2.C11H12N2.C11H14N2.C11H12NO.C11H12NS.C10H13N4.C10H14N4.2C10H12N3.2C10H11N3.2C10H13N3.38C2H6/c1-11-7-3-5-9-14(11)17-12(2)16-13-8-4-6-10-15(13)17;1-11-7-3-4-8-12(11)15-16-13-9-5-6-10-14(13)17(15)2;1-13-9-5-3-7-11(13)12-8-4-6-10-14(12)2;1-10-11(6-5-8-13-10)12-7-3-4-9-14(12)2;1-10-9-13-7-6-11(10)12-5-3-4-8-14(12)2;1-10-6-7-13-9-11(10)12-5-3-4-8-14(12)2;1-10-6-5-7-11(10)12-8-3-4-9-13(12)2;1-12-8-4-3-6-10(12)11-7-5-9-13(11)2;1-9-5-3-4-6-10(9)11-12-7-8-13(11)2;1-9-5-3-4-6-11(9)13-8-7-12-10(13)2;2*1-9-5-3-4-6-10(9)11-12(2)7-8-13-11;1-8-6-4-5-7-9(8)10-13(2)11-12-14(10)3;1-8-6-4-5-7-10(8)14-9(2)13(3)11-12-14;1-12-7-4-3-5-9(12)10-11-6-8-13(10)2;1-12-6-4-3-5-9(12)10-7-11-8-13(10)2;1-8-5-3-4-6-9(8)10-12-11-7-13(10)2;1-8-5-3-4-6-9(8)10-11-7-12-13(10)2;1-8-5-3-4-6-10(8)13-7-11-12-9(13)2;1-8-5-3-4-6-10(8)13-9(2)11-7-12-13;38*1-2/h3-10,12,16H,1-2H3;3-10H,1-2H3;3-10H,1-2H3;3*3-9H,1-2H3;3-5,7-9H,6H2,1-2H3;3-9H,1-2H3;3-8H,1-2H3;3-8,10,12H,1-2H3;2*3-8H,1-2H3;4-7H,1-3H3;4-7,9H,1-3H3;2*3-8H,1-2H3;2*3-7H,1-2H3;3-7,9,12H,1-2H3;3-7,9H,1-2H3,(H,11,12);38*1-2H3/q;;+2;5*+1;;;3*+1;;2*+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p+4/t12-;;;;;;;;;10-;;;;9-;;;;;2*9-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/m0........0...0....00....................................../s1
InChIKeyZGRAIPUOZWVULO-GPPKKPONSA-R
XLogP75.56
TPSA391.11 Ų
H-Bond Donors8
H-Bond Acceptors29
Rotatable Bonds20
Heavy Atoms350
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004816.63
LogP ≤ 575.56
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1029

Analyze (5S)-1,5-dimethyl-4-(2-methylphenyl)-5H-tetrazole;1,4-dimethyl-5-(2-methylphenyl)tetrazol-1-ium;ethane;1-methyl-2-(2-methylcyclopenta-1,4-dien-1-yl)pyridin-1-ium;1-methyl-2-(1-methylimidazol-2-yl)pyridin-1-ium;1-methyl-2-(3-methylimidazol-4-yl)pyridin-1-ium;3-methyl-2-(2-methylphenyl)-1H-benzimidazol-3-ium;(2S)-2-methyl-3-(2-methylphenyl)-1,2-dihydrobenzimidazole;(2S)-2-methyl-3-(2-methylphenyl)-1,2-dihydroimidazole;(3S)-3-methyl-2-(2-methylphenyl)-1,3-dihydro-1,2,4-triazole;(5R)-5-methyl-4-(2-methylphenyl)-1,5-dihydro-1,2,4-triazole;3-methyl-2-(2-methylphenyl)-1H-imidazol-3-ium;3-methyl-2-(2-methylphenyl)-1,3-oxazol-3-ium;3-methyl-2-(2-methylphenyl)-1,3-thiazol-3-ium;2-methyl-3-(2-methylphenyl)-1H-1,2,4-triazol-2-ium;4-methyl-5-(2-methylphenyl)-1H-1,2,4-triazol-4-ium;2-methyl-3-(1-methylpyridin-1-ium-2-yl)pyridine;3-methyl-4-(1-methylpyridin-1-ium-2-yl)pyridine;4-methyl-3-(1-methylpyridin-1-ium-2-yl)pyridine;1-methyl-2-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(1-methylpyrrol-2-yl)pyridin-1-ium with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5S)-1,5-dimethyl-4-(2-methylphenyl)-5H-tetrazole;1,4-dimethyl-5-(2-methylphenyl)tetrazol-1-ium;ethane;1-methyl-2-(2-methylcyclopenta-1,4-dien-1-yl)pyridin-1-ium;1-methyl-2-(1-methylimidazol-2-yl)pyridin-1-ium;1-methyl-2-(3-methylimidazol-4-yl)pyridin-1-ium;3-methyl-2-(2-methylphenyl)-1H-benzimidazol-3-ium;(2S)-2-methyl-3-(2-methylphenyl)-1,2-dihydrobenzimidazole;(2S)-2-methyl-3-(2-methylphenyl)-1,2-dihydroimidazole;(3S)-3-methyl-2-(2-methylphenyl)-1,3-dihydro-1,2,4-triazole;(5R)-5-methyl-4-(2-methylphenyl)-1,5-dihydro-1,2,4-triazole;3-methyl-2-(2-methylphenyl)-1H-imidazol-3-ium;3-methyl-2-(2-methylphenyl)-1,3-oxazol-3-ium;3-methyl-2-(2-methylphenyl)-1,3-thiazol-3-ium;2-methyl-3-(2-methylphenyl)-1H-1,2,4-triazol-2-ium;4-methyl-5-(2-methylphenyl)-1H-1,2,4-triazol-4-ium;2-methyl-3-(1-methylpyridin-1-ium-2-yl)pyridine;3-methyl-4-(1-methylpyridin-1-ium-2-yl)pyridine;4-methyl-3-(1-methylpyridin-1-ium-2-yl)pyridine;1-methyl-2-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(1-methylpyrrol-2-yl)pyridin-1-ium?
The IUPAC name of (5S)-1,5-dimethyl-4-(2-methylphenyl)-5H-tetrazole;1,4-dimethyl-5-(2-methylphenyl)tetrazol-1-ium;ethane;1-methyl-2-(2-methylcyclopenta-1,4-dien-1-yl)pyridin-1-ium;1-methyl-2-(1-methylimidazol-2-yl)pyridin-1-ium;1-methyl-2-(3-methylimidazol-4-yl)pyridin-1-ium;3-methyl-2-(2-methylphenyl)-1H-benzimidazol-3-ium;(2S)-2-methyl-3-(2-methylphenyl)-1,2-dihydrobenzimidazole;(2S)-2-methyl-3-(2-methylphenyl)-1,2-dihydroimidazole;(3S)-3-methyl-2-(2-methylphenyl)-1,3-dihydro-1,2,4-triazole;(5R)-5-methyl-4-(2-methylphenyl)-1,5-dihydro-1,2,4-triazole;3-methyl-2-(2-methylphenyl)-1H-imidazol-3-ium;3-methyl-2-(2-methylphenyl)-1,3-oxazol-3-ium;3-methyl-2-(2-methylphenyl)-1,3-thiazol-3-ium;2-methyl-3-(2-methylphenyl)-1H-1,2,4-triazol-2-ium;4-methyl-5-(2-methylphenyl)-1H-1,2,4-triazol-4-ium;2-methyl-3-(1-methylpyridin-1-ium-2-yl)pyridine;3-methyl-4-(1-methylpyridin-1-ium-2-yl)pyridine;4-methyl-3-(1-methylpyridin-1-ium-2-yl)pyridine;1-methyl-2-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(1-methylpyrrol-2-yl)pyridin-1-ium (CID 158580245) is (5S)-1,5-dimethyl-4-(2-methylphenyl)-5H-tetrazole;1,4-dimethyl-5-(2-methylphenyl)tetrazol-1-ium;ethane;1-methyl-2-(2-methylcyclopenta-1,4-dien-1-yl)pyridin-1-ium;1-methyl-2-(1-methylimidazol-2-yl)pyridin-1-ium;1-methyl-2-(3-methylimidazol-4-yl)pyridin-1-ium;3-methyl-2-(2-methylphenyl)-1H-benzimidazol-3-ium;(2S)-2-methyl-3-(2-methylphenyl)-1,2-dihydrobenzimidazole;(2S)-2-methyl-3-(2-methylphenyl)-1,2-dihydroimidazole;(3S)-3-methyl-2-(2-methylphenyl)-1,3-dihydro-1,2,4-triazole;(5R)-5-methyl-4-(2-methylphenyl)-1,5-dihydro-1,2,4-triazole;3-methyl-2-(2-methylphenyl)-1H-imidazol-3-ium;3-methyl-2-(2-methylphenyl)-1,3-oxazol-3-ium;3-methyl-2-(2-methylphenyl)-1,3-thiazol-3-ium;2-methyl-3-(2-methylphenyl)-1H-1,2,4-triazol-2-ium;4-methyl-5-(2-methylphenyl)-1H-1,2,4-triazol-4-ium;2-methyl-3-(1-methylpyridin-1-ium-2-yl)pyridine;3-methyl-4-(1-methylpyridin-1-ium-2-yl)pyridine;4-methyl-3-(1-methylpyridin-1-ium-2-yl)pyridine;1-methyl-2-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(1-methylpyrrol-2-yl)pyridin-1-ium.
What is the SMILES notation for (5S)-1,5-dimethyl-4-(2-methylphenyl)-5H-tetrazole;1,4-dimethyl-5-(2-methylphenyl)tetrazol-1-ium;ethane;1-methyl-2-(2-methylcyclopenta-1,4-dien-1-yl)pyridin-1-ium;1-methyl-2-(1-methylimidazol-2-yl)pyridin-1-ium;1-methyl-2-(3-methylimidazol-4-yl)pyridin-1-ium;3-methyl-2-(2-methylphenyl)-1H-benzimidazol-3-ium;(2S)-2-methyl-3-(2-methylphenyl)-1,2-dihydrobenzimidazole;(2S)-2-methyl-3-(2-methylphenyl)-1,2-dihydroimidazole;(3S)-3-methyl-2-(2-methylphenyl)-1,3-dihydro-1,2,4-triazole;(5R)-5-methyl-4-(2-methylphenyl)-1,5-dihydro-1,2,4-triazole;3-methyl-2-(2-methylphenyl)-1H-imidazol-3-ium;3-methyl-2-(2-methylphenyl)-1,3-oxazol-3-ium;3-methyl-2-(2-methylphenyl)-1,3-thiazol-3-ium;2-methyl-3-(2-methylphenyl)-1H-1,2,4-triazol-2-ium;4-methyl-5-(2-methylphenyl)-1H-1,2,4-triazol-4-ium;2-methyl-3-(1-methylpyridin-1-ium-2-yl)pyridine;3-methyl-4-(1-methylpyridin-1-ium-2-yl)pyridine;4-methyl-3-(1-methylpyridin-1-ium-2-yl)pyridine;1-methyl-2-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(1-methylpyrrol-2-yl)pyridin-1-ium?
The canonical SMILES for (5S)-1,5-dimethyl-4-(2-methylphenyl)-5H-tetrazole;1,4-dimethyl-5-(2-methylphenyl)tetrazol-1-ium;ethane;1-methyl-2-(2-methylcyclopenta-1,4-dien-1-yl)pyridin-1-ium;1-methyl-2-(1-methylimidazol-2-yl)pyridin-1-ium;1-methyl-2-(3-methylimidazol-4-yl)pyridin-1-ium;3-methyl-2-(2-methylphenyl)-1H-benzimidazol-3-ium;(2S)-2-methyl-3-(2-methylphenyl)-1,2-dihydrobenzimidazole;(2S)-2-methyl-3-(2-methylphenyl)-1,2-dihydroimidazole;(3S)-3-methyl-2-(2-methylphenyl)-1,3-dihydro-1,2,4-triazole;(5R)-5-methyl-4-(2-methylphenyl)-1,5-dihydro-1,2,4-triazole;3-methyl-2-(2-methylphenyl)-1H-imidazol-3-ium;3-methyl-2-(2-methylphenyl)-1,3-oxazol-3-ium;3-methyl-2-(2-methylphenyl)-1,3-thiazol-3-ium;2-methyl-3-(2-methylphenyl)-1H-1,2,4-triazol-2-ium;4-methyl-5-(2-methylphenyl)-1H-1,2,4-triazol-4-ium;2-methyl-3-(1-methylpyridin-1-ium-2-yl)pyridine;3-methyl-4-(1-methylpyridin-1-ium-2-yl)pyridine;4-methyl-3-(1-methylpyridin-1-ium-2-yl)pyridine;1-methyl-2-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(1-methylpyrrol-2-yl)pyridin-1-ium is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1=C(c2cccc[n+]2C)C=CC1.C[n+]1ccccc1-c1cccc[n+]1C.Cc1ccccc1-c1[nH]c2ccccc2[n+]1C.Cc1ccccc1-c1[nH]cc[n+]1C.Cc1ccccc1-c1[nH]nc[n+]1C.Cc1ccccc1-c1n(C)nn[n+]1C.Cc1ccccc1-c1nc[nH][n+]1C.Cc1ccccc1-c1occ[n+]1C.Cc1ccccc1-c1scc[n+]1C.Cc1ccccc1N1C=CN[C@@H]1C.Cc1ccccc1N1C=NN[C@@H]1C.Cc1ccccc1N1N=NN(C)[C@@H]1C.Cc1ccccc1N1NC=N[C@@H]1C.Cc1ccccc1N1c2ccccc2N[C@@H]1C.Cc1ccncc1-c1cccc[n+]1C.Cc1cnccc1-c1cccc[n+]1C.Cc1ncccc1-c1cccc[n+]1C.Cn1cccc1-c1cccc[n+]1C.Cn1ccnc1-c1cccc[n+]1C.Cn1cncc1-c1cccc[n+]1C.
What is the InChIKey of (5S)-1,5-dimethyl-4-(2-methylphenyl)-5H-tetrazole;1,4-dimethyl-5-(2-methylphenyl)tetrazol-1-ium;ethane;1-methyl-2-(2-methylcyclopenta-1,4-dien-1-yl)pyridin-1-ium;1-methyl-2-(1-methylimidazol-2-yl)pyridin-1-ium;1-methyl-2-(3-methylimidazol-4-yl)pyridin-1-ium;3-methyl-2-(2-methylphenyl)-1H-benzimidazol-3-ium;(2S)-2-methyl-3-(2-methylphenyl)-1,2-dihydrobenzimidazole;(2S)-2-methyl-3-(2-methylphenyl)-1,2-dihydroimidazole;(3S)-3-methyl-2-(2-methylphenyl)-1,3-dihydro-1,2,4-triazole;(5R)-5-methyl-4-(2-methylphenyl)-1,5-dihydro-1,2,4-triazole;3-methyl-2-(2-methylphenyl)-1H-imidazol-3-ium;3-methyl-2-(2-methylphenyl)-1,3-oxazol-3-ium;3-methyl-2-(2-methylphenyl)-1,3-thiazol-3-ium;2-methyl-3-(2-methylphenyl)-1H-1,2,4-triazol-2-ium;4-methyl-5-(2-methylphenyl)-1H-1,2,4-triazol-4-ium;2-methyl-3-(1-methylpyridin-1-ium-2-yl)pyridine;3-methyl-4-(1-methylpyridin-1-ium-2-yl)pyridine;4-methyl-3-(1-methylpyridin-1-ium-2-yl)pyridine;1-methyl-2-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(1-methylpyrrol-2-yl)pyridin-1-ium?
The InChIKey is ZGRAIPUOZWVULO-GPPKKPONSA-R. The full InChI is InChI=1S/C15H16N2.C15H14N2.C12H14N2.3C12H13N2.C12H14N.C11H13N2.C11H12N2.C11H14N2.C11H12NO.C11H12NS.C10H13N4.C10H14N4.2C10H12N3.2C10H11N3.2C10H13N3.38C2H6/c1-11-7-3-5-9-14(11)17-12(2)16-13-8-4-6-10-15(13)17;1-11-7-3-4-8-12(11)15-16-13-9-5-6-10-14(13)17(15)2;1-13-9-5-3-7-11(13)12-8-4-6-10-14(12)2;1-10-11(6-5-8-13-10)12-7-3-4-9-14(12)2;1-10-9-13-7-6-11(10)12-5-3-4-8-14(12)2;1-10-6-7-13-9-11(10)12-5-3-4-8-14(12)2;1-10-6-5-7-11(10)12-8-3-4-9-13(12)2;1-12-8-4-3-6-10(12)11-7-5-9-13(11)2;1-9-5-3-4-6-10(9)11-12-7-8-13(11)2;1-9-5-3-4-6-11(9)13-8-7-12-10(13)2;2*1-9-5-3-4-6-10(9)11-12(2)7-8-13-11;1-8-6-4-5-7-9(8)10-13(2)11-12-14(10)3;1-8-6-4-5-7-10(8)14-9(2)13(3)11-12-14;1-12-7-4-3-5-9(12)10-11-6-8-13(10)2;1-12-6-4-3-5-9(12)10-7-11-8-13(10)2;1-8-5-3-4-6-9(8)10-12-11-7-13(10)2;1-8-5-3-4-6-9(8)10-11-7-12-13(10)2;1-8-5-3-4-6-10(8)13-7-11-12-9(13)2;1-8-5-3-4-6-10(8)13-9(2)11-7-12-13;38*1-2/h3-10,12,16H,1-2H3;3-10H,1-2H3;3-10H,1-2H3;3*3-9H,1-2H3;3-5,7-9H,6H2,1-2H3;3-9H,1-2H3;3-8H,1-2H3;3-8,10,12H,1-2H3;2*3-8H,1-2H3;4-7H,1-3H3;4-7,9H,1-3H3;2*3-8H,1-2H3;2*3-7H,1-2H3;3-7,9,12H,1-2H3;3-7,9H,1-2H3,(H,11,12);38*1-2H3/q;;+2;5*+1;;;3*+1;;2*+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p+4/t12-;;;;;;;;;10-;;;;9-;;;;;2*9-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/m0........0...0....00....................................../s1.
What are the key properties of (5S)-1,5-dimethyl-4-(2-methylphenyl)-5H-tetrazole;1,4-dimethyl-5-(2-methylphenyl)tetrazol-1-ium;ethane;1-methyl-2-(2-methylcyclopenta-1,4-dien-1-yl)pyridin-1-ium;1-methyl-2-(1-methylimidazol-2-yl)pyridin-1-ium;1-methyl-2-(3-methylimidazol-4-yl)pyridin-1-ium;3-methyl-2-(2-methylphenyl)-1H-benzimidazol-3-ium;(2S)-2-methyl-3-(2-methylphenyl)-1,2-dihydrobenzimidazole;(2S)-2-methyl-3-(2-methylphenyl)-1,2-dihydroimidazole;(3S)-3-methyl-2-(2-methylphenyl)-1,3-dihydro-1,2,4-triazole;(5R)-5-methyl-4-(2-methylphenyl)-1,5-dihydro-1,2,4-triazole;3-methyl-2-(2-methylphenyl)-1H-imidazol-3-ium;3-methyl-2-(2-methylphenyl)-1,3-oxazol-3-ium;3-methyl-2-(2-methylphenyl)-1,3-thiazol-3-ium;2-methyl-3-(2-methylphenyl)-1H-1,2,4-triazol-2-ium;4-methyl-5-(2-methylphenyl)-1H-1,2,4-triazol-4-ium;2-methyl-3-(1-methylpyridin-1-ium-2-yl)pyridine;3-methyl-4-(1-methylpyridin-1-ium-2-yl)pyridine;4-methyl-3-(1-methylpyridin-1-ium-2-yl)pyridine;1-methyl-2-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(1-methylpyrrol-2-yl)pyridin-1-ium?
(5S)-1,5-dimethyl-4-(2-methylphenyl)-5H-tetrazole;1,4-dimethyl-5-(2-methylphenyl)tetrazol-1-ium;ethane;1-methyl-2-(2-methylcyclopenta-1,4-dien-1-yl)pyridin-1-ium;1-methyl-2-(1-methylimidazol-2-yl)pyridin-1-ium;1-methyl-2-(3-methylimidazol-4-yl)pyridin-1-ium;3-methyl-2-(2-methylphenyl)-1H-benzimidazol-3-ium;(2S)-2-methyl-3-(2-methylphenyl)-1,2-dihydrobenzimidazole;(2S)-2-methyl-3-(2-methylphenyl)-1,2-dihydroimidazole;(3S)-3-methyl-2-(2-methylphenyl)-1,3-dihydro-1,2,4-triazole;(5R)-5-methyl-4-(2-methylphenyl)-1,5-dihydro-1,2,4-triazole;3-methyl-2-(2-methylphenyl)-1H-imidazol-3-ium;3-methyl-2-(2-methylphenyl)-1,3-oxazol-3-ium;3-methyl-2-(2-methylphenyl)-1,3-thiazol-3-ium;2-methyl-3-(2-methylphenyl)-1H-1,2,4-triazol-2-ium;4-methyl-5-(2-methylphenyl)-1H-1,2,4-triazol-4-ium;2-methyl-3-(1-methylpyridin-1-ium-2-yl)pyridine;3-methyl-4-(1-methylpyridin-1-ium-2-yl)pyridine;4-methyl-3-(1-methylpyridin-1-ium-2-yl)pyridine;1-methyl-2-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(1-methylpyrrol-2-yl)pyridin-1-ium has a molecular weight of 4816.63 g/mol, XLogP of 75.56, 20 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1,5-dimethyl-4-(2-methylphenyl)-5H-tetrazole;1,4-dimethyl-5-(2-methylphenyl)tetrazol-1-ium;ethane;1-methyl-2-(2-methylcyclopenta-1,4-dien-1-yl)pyridin-1-ium;1-methyl-2-(1-methylimidazol-2-yl)pyridin-1-ium;1-methyl-2-(3-methylimidazol-4-yl)pyridin-1-ium;3-methyl-2-(2-methylphenyl)-1H-benzimidazol-3-ium;(2S)-2-methyl-3-(2-methylphenyl)-1,2-dihydrobenzimidazole;(2S)-2-methyl-3-(2-methylphenyl)-1,2-dihydroimidazole;(3S)-3-methyl-2-(2-methylphenyl)-1,3-dihydro-1,2,4-triazole;(5R)-5-methyl-4-(2-methylphenyl)-1,5-dihydro-1,2,4-triazole;3-methyl-2-(2-methylphenyl)-1H-imidazol-3-ium;3-methyl-2-(2-methylphenyl)-1,3-oxazol-3-ium;3-methyl-2-(2-methylphenyl)-1,3-thiazol-3-ium;2-methyl-3-(2-methylphenyl)-1H-1,2,4-triazol-2-ium;4-methyl-5-(2-methylphenyl)-1H-1,2,4-triazol-4-ium;2-methyl-3-(1-methylpyridin-1-ium-2-yl)pyridine;3-methyl-4-(1-methylpyridin-1-ium-2-yl)pyridine;4-methyl-3-(1-methylpyridin-1-ium-2-yl)pyridine;1-methyl-2-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(1-methylpyrrol-2-yl)pyridin-1-ium is sourced from PubChem (CID 158580245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).