1-bromo-3-propan-2-ylbenzene;3-(2,3-dimethylbutyl)thiophene;methane;1-methyl-4-(3-propan-2-yl-2-pyridinyl)piperazine;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;1-(2-methylpropyl)imidazole;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;5-(2-methylpropyl)pyrimidine;1-methylsulfanyl-3-propan-2-ylbenzene;2-piperidin-1-yl-3-propan-2-ylpyridine;bis(2-piperidin-1-yl-4-propan-2-ylpyridine);4-propan-2-yl-1,3-benzodioxole;4-(3-propan-2-yl-2-pyridinyl)morpholine;4-(4-propan-2-yl-2-pyridinyl)morpholine;1-(3-propan-2-yl-2-pyridinyl)piperazine;1-(4-propan-2-yl-2-pyridinyl)piperazine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-triazole;2-(4-propan-2-yltriazol-1-yl)acetamide;2-(4-propan-2-yltriazol-1-yl)ethanol

C220H339BrN42O6S2 — CID 158263558

IUPAC1-bromo-3-propan-2-ylbenzene;3-(2,3-dimethylbutyl)thiophene;methane;1-methyl-4-(3-propan-2-yl-2-pyridinyl)piperazine;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;1-(2-methylpropyl)imidazole;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;5-(2-methylpropyl)pyrimidine;1-methylsulfanyl-3-propan-2-ylbenzene;2-piperidin-1-yl-3-propan-2-ylpyridine;bis(2-piperidin-1-yl-4-propan-2-ylpyridine);4-propan-2-yl-1,3-benzodioxole;4-(3-propan-2-yl-2-pyridinyl)morpholine;4-(4-propan-2-yl-2-pyridinyl)morpholine;1-(3-propan-2-yl-2-pyridinyl)piperazine;1-(4-propan-2-yl-2-pyridinyl)piperazine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-triazole;2-(4-propan-2-yltriazol-1-yl)acetamide;2-(4-propan-2-yltriazol-1-yl)ethanol
SMILESC.CC(C)C(C)Cc1ccsc1.CC(C)Cc1cccnc1.CC(C)Cc1ccncc1.CC(C)Cc1cncnc1.CC(C)Cc1ncccn1.CC(C)Cn1ccnc1.CC(C)c1cccc(Br)c1.CC(C)c1cccc2c1OCO2.CC(C)c1cccnc1N1CCCCC1.CC(C)c1cccnc1N1CCN(C)CC1.CC(C)c1cccnc1N1CCNCC1.CC(C)c1cccnc1N1CCOCC1.CC(C)c1ccnc(N2CCCCC2)c1.CC(C)c1ccnc(N2CCCCC2)c1.CC(C)c1ccnc(N2CCN(C)CC2)c1.CC(C)c1ccnc(N2CCNCC2)c1.CC(C)c1ccnc(N2CCOCC2)c1.CC(C)c1cn(CC(N)=O)nn1.CC(C)c1cn(CCO)nn1.CC(C)c1cn[nH]n1.CC(C)c1ncccn1.CSc1cccc(C(C)C)c1
InChIInChI=1S/2C13H21N3.3C13H20N2.2C12H19N3.2C12H18N2O.C10H12O2.C10H16S.C10H14S.C9H11Br.2C9H13N.2C8H12N2.C7H12N4O.C7H13N3O.C7H12N2.C7H10N2.C5H9N3.CH4/c1-11(2)12-4-5-14-13(10-12)16-8-6-15(3)7-9-16;1-11(2)12-5-4-6-14-13(12)16-9-7-15(3)8-10-16;1-11(2)12-7-6-8-14-13(12)15-9-4-3-5-10-15;2*1-11(2)12-6-7-14-13(10-12)15-8-4-3-5-9-15;1-10(2)11-3-4-14-12(9-11)15-7-5-13-6-8-15;1-10(2)11-4-3-5-14-12(11)15-8-6-13-7-9-15;1-10(2)11-3-4-13-12(9-11)14-5-7-15-8-6-14;1-10(2)11-4-3-5-13-12(11)14-6-8-15-9-7-14;1-7(2)8-4-3-5-9-10(8)12-6-11-9;1-8(2)9(3)6-10-4-5-11-7-10;1-8(2)9-5-4-6-10(7-9)11-3;1-7(2)8-4-3-5-9(10)6-8;1-8(2)7-9-3-5-10-6-4-9;1-8(2)6-9-4-3-5-10-7-9;1-7(2)3-8-4-9-6-10-5-8;1-7(2)6-8-9-4-3-5-10-8;1-5(2)6-3-11(10-9-6)4-7(8)12;1-6(2)7-5-10(3-4-11)9-8-7;1-7(2)5-9-4-3-8-6-9;1-6(2)7-8-4-3-5-9-7;1-4(2)5-3-6-8-7-5;/h4-5,10-11H,6-9H2,1-3H3;4-6,11H,7-10H2,1-3H3;6-8,11H,3-5,9-10H2,1-2H3;2*6-7,10-11H,3-5,8-9H2,1-2H3;3-4,9-10,13H,5-8H2,1-2H3;3-5,10,13H,6-9H2,1-2H3;3-4,9-10H,5-8H2,1-2H3;3-5,10H,6-9H2,1-2H3;3-5,7H,6H2,1-2H3;4-5,7-9H,6H2,1-3H3;4-8H,1-3H3;3-7H,1-2H3;3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;4-7H,3H2,1-2H3;3-5,7H,6H2,1-2H3;3,5H,4H2,1-2H3,(H2,8,12);5-6,11H,3-4H2,1-2H3;3-4,6-7H,5H2,1-2H3;3-6H,1-2H3;3-4H,1-2H3,(H,6,7,8);1H4
InChIKeyGIEABCATZXZFFE-UHFFFAOYSA-N
MW3812.46 g/mol
LogP46.93
Rot. Bonds43

About 1-bromo-3-propan-2-ylbenzene;3-(2,3-dimethylbutyl)thiophene;methane;1-methyl-4-(3-propan-2-yl-2-pyridinyl)piperazine;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;1-(2-methylpropyl)imidazole;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;5-(2-methylpropyl)pyrimidine;1-methylsulfanyl-3-propan-2-ylbenzene;2-piperidin-1-yl-3-propan-2-ylpyridine;bis(2-piperidin-1-yl-4-propan-2-ylpyridine);4-propan-2-yl-1,3-benzodioxole;4-(3-propan-2-yl-2-pyridinyl)morpholine;4-(4-propan-2-yl-2-pyridinyl)morpholine;1-(3-propan-2-yl-2-pyridinyl)piperazine;1-(4-propan-2-yl-2-pyridinyl)piperazine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-triazole;2-(4-propan-2-yltriazol-1-yl)acetamide;2-(4-propan-2-yltriazol-1-yl)ethanol

1-bromo-3-propan-2-ylbenzene;3-(2,3-dimethylbutyl)thiophene;methane;1-methyl-4-(3-propan-2-yl-2-pyridinyl)piperazine;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;1-(2-methylpropyl)imidazole;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;5-(2-methylpropyl)pyrimidine;1-methylsulfanyl-3-propan-2-ylbenzene;2-piperidin-1-yl-3-propan-2-ylpyridine;bis(2-piperidin-1-yl-4-propan-2-ylpyridine);4-propan-2-yl-1,3-benzodioxole;4-(3-propan-2-yl-2-pyridinyl)morpholine;4-(4-propan-2-yl-2-pyridinyl)morpholine;1-(3-propan-2-yl-2-pyridinyl)piperazine;1-(4-propan-2-yl-2-pyridinyl)piperazine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-triazole;2-(4-propan-2-yltriazol-1-yl)acetamide;2-(4-propan-2-yltriazol-1-yl)ethanol (PubChem CID 158263558) has the molecular formula C220H339BrN42O6S2 and a molecular weight of 3812.46 g/mol. Its IUPAC name is 1-bromo-3-propan-2-ylbenzene;3-(2,3-dimethylbutyl)thiophene;methane;1-methyl-4-(3-propan-2-yl-2-pyridinyl)piperazine;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;1-(2-methylpropyl)imidazole;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;5-(2-methylpropyl)pyrimidine;1-methylsulfanyl-3-propan-2-ylbenzene;2-piperidin-1-yl-3-propan-2-ylpyridine;bis(2-piperidin-1-yl-4-propan-2-ylpyridine);4-propan-2-yl-1,3-benzodioxole;4-(3-propan-2-yl-2-pyridinyl)morpholine;4-(4-propan-2-yl-2-pyridinyl)morpholine;1-(3-propan-2-yl-2-pyridinyl)piperazine;1-(4-propan-2-yl-2-pyridinyl)piperazine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-triazole;2-(4-propan-2-yltriazol-1-yl)acetamide;2-(4-propan-2-yltriazol-1-yl)ethanol.

Molecular Properties

Compound Name1-bromo-3-propan-2-ylbenzene;3-(2,3-dimethylbutyl)thiophene;methane;1-methyl-4-(3-propan-2-yl-2-pyridinyl)piperazine;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;1-(2-methylpropyl)imidazole;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;5-(2-methylpropyl)pyrimidine;1-methylsulfanyl-3-propan-2-ylbenzene;2-piperidin-1-yl-3-propan-2-ylpyridine;bis(2-piperidin-1-yl-4-propan-2-ylpyridine);4-propan-2-yl-1,3-benzodioxole;4-(3-propan-2-yl-2-pyridinyl)morpholine;4-(4-propan-2-yl-2-pyridinyl)morpholine;1-(3-propan-2-yl-2-pyridinyl)piperazine;1-(4-propan-2-yl-2-pyridinyl)piperazine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-triazole;2-(4-propan-2-yltriazol-1-yl)acetamide;2-(4-propan-2-yltriazol-1-yl)ethanol
PubChem CID158263558
Molecular FormulaC220H339BrN42O6S2
Molecular Weight3812.46 g/mol
Exact Mass3808.61
IUPAC Name1-bromo-3-propan-2-ylbenzene;3-(2,3-dimethylbutyl)thiophene;methane;1-methyl-4-(3-propan-2-yl-2-pyridinyl)piperazine;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;1-(2-methylpropyl)imidazole;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;5-(2-methylpropyl)pyrimidine;1-methylsulfanyl-3-propan-2-ylbenzene;2-piperidin-1-yl-3-propan-2-ylpyridine;bis(2-piperidin-1-yl-4-propan-2-ylpyridine);4-propan-2-yl-1,3-benzodioxole;4-(3-propan-2-yl-2-pyridinyl)morpholine;4-(4-propan-2-yl-2-pyridinyl)morpholine;1-(3-propan-2-yl-2-pyridinyl)piperazine;1-(4-propan-2-yl-2-pyridinyl)piperazine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-triazole;2-(4-propan-2-yltriazol-1-yl)acetamide;2-(4-propan-2-yltriazol-1-yl)ethanol
SMILESC.CC(C)C(C)Cc1ccsc1.CC(C)Cc1cccnc1.CC(C)Cc1ccncc1.CC(C)Cc1cncnc1.CC(C)Cc1ncccn1.CC(C)Cn1ccnc1.CC(C)c1cccc(Br)c1.CC(C)c1cccc2c1OCO2.CC(C)c1cccnc1N1CCCCC1.CC(C)c1cccnc1N1CCN(C)CC1.CC(C)c1cccnc1N1CCNCC1.CC(C)c1cccnc1N1CCOCC1.CC(C)c1ccnc(N2CCCCC2)c1.CC(C)c1ccnc(N2CCCCC2)c1.CC(C)c1ccnc(N2CCN(C)CC2)c1.CC(C)c1ccnc(N2CCNCC2)c1.CC(C)c1ccnc(N2CCOCC2)c1.CC(C)c1cn(CC(N)=O)nn1.CC(C)c1cn(CCO)nn1.CC(C)c1cn[nH]n1.CC(C)c1ncccn1.CSc1cccc(C(C)C)c1
InChIInChI=1S/2C13H21N3.3C13H20N2.2C12H19N3.2C12H18N2O.C10H12O2.C10H16S.C10H14S.C9H11Br.2C9H13N.2C8H12N2.C7H12N4O.C7H13N3O.C7H12N2.C7H10N2.C5H9N3.CH4/c1-11(2)12-4-5-14-13(10-12)16-8-6-15(3)7-9-16;1-11(2)12-5-4-6-14-13(12)16-9-7-15(3)8-10-16;1-11(2)12-7-6-8-14-13(12)15-9-4-3-5-10-15;2*1-11(2)12-6-7-14-13(10-12)15-8-4-3-5-9-15;1-10(2)11-3-4-14-12(9-11)15-7-5-13-6-8-15;1-10(2)11-4-3-5-14-12(11)15-8-6-13-7-9-15;1-10(2)11-3-4-13-12(9-11)14-5-7-15-8-6-14;1-10(2)11-4-3-5-13-12(11)14-6-8-15-9-7-14;1-7(2)8-4-3-5-9-10(8)12-6-11-9;1-8(2)9(3)6-10-4-5-11-7-10;1-8(2)9-5-4-6-10(7-9)11-3;1-7(2)8-4-3-5-9(10)6-8;1-8(2)7-9-3-5-10-6-4-9;1-8(2)6-9-4-3-5-10-7-9;1-7(2)3-8-4-9-6-10-5-8;1-7(2)6-8-9-4-3-5-10-8;1-5(2)6-3-11(10-9-6)4-7(8)12;1-6(2)7-5-10(3-4-11)9-8-7;1-7(2)5-9-4-3-8-6-9;1-6(2)7-8-4-3-5-9-7;1-4(2)5-3-6-8-7-5;/h4-5,10-11H,6-9H2,1-3H3;4-6,11H,7-10H2,1-3H3;6-8,11H,3-5,9-10H2,1-2H3;2*6-7,10-11H,3-5,8-9H2,1-2H3;3-4,9-10,13H,5-8H2,1-2H3;3-5,10,13H,6-9H2,1-2H3;3-4,9-10H,5-8H2,1-2H3;3-5,10H,6-9H2,1-2H3;3-5,7H,6H2,1-2H3;4-5,7-9H,6H2,1-3H3;4-8H,1-3H3;3-7H,1-2H3;3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;4-7H,3H2,1-2H3;3-5,7H,6H2,1-2H3;3,5H,4H2,1-2H3,(H2,8,12);5-6,11H,3-4H2,1-2H3;3-4,6-7H,5H2,1-2H3;3-6H,1-2H3;3-4H,1-2H3,(H,6,7,8);1H4
InChIKeyGIEABCATZXZFFE-UHFFFAOYSA-N
XLogP46.93
TPSA499.88 Ų
H-Bond Donors5
H-Bond Acceptors48
Rotatable Bonds43
Heavy Atoms271
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003812.46
LogP ≤ 546.93
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1048

Analyze 1-bromo-3-propan-2-ylbenzene;3-(2,3-dimethylbutyl)thiophene;methane;1-methyl-4-(3-propan-2-yl-2-pyridinyl)piperazine;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;1-(2-methylpropyl)imidazole;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;5-(2-methylpropyl)pyrimidine;1-methylsulfanyl-3-propan-2-ylbenzene;2-piperidin-1-yl-3-propan-2-ylpyridine;bis(2-piperidin-1-yl-4-propan-2-ylpyridine);4-propan-2-yl-1,3-benzodioxole;4-(3-propan-2-yl-2-pyridinyl)morpholine;4-(4-propan-2-yl-2-pyridinyl)morpholine;1-(3-propan-2-yl-2-pyridinyl)piperazine;1-(4-propan-2-yl-2-pyridinyl)piperazine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-triazole;2-(4-propan-2-yltriazol-1-yl)acetamide;2-(4-propan-2-yltriazol-1-yl)ethanol with MolForge

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Launch Full Analysis

Related Compounds

1-bromo-3-(2-methylpropyl)benzene;3-(2,3-dimethylbutyl)thiophene;1-methyl-4-(3-propan-2-yl-2-pyridinyl)piperazine;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;1-(2-methylpropyl)imidazole;1-(2-methylpropyl)-3-methylsulfanylbenzene;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;5-(2-methylpropyl)pyrimidine;2-piperidin-1-yl-3-propan-2-ylpyridine;bis(2-piperidin-1-yl-4-propan-2-ylpyridine);4-propan-2-yl-1,3-benzodioxole;4-(3-propan-2-yl-2-pyridinyl)morpholine;4-(4-propan-2-yl-2-pyridinyl)morpholine;1-(3-propan-2-yl-2-pyridinyl)piperazine;1-(4-propan-2-yl-2-pyridinyl)piperazine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-triazole;2-(4-propan-2-yltriazol-1-yl)acetamide;2-(4-propan-2-yltriazol-1-yl)ethanol
CID 157903367
1-bromo-3-(2-methylpropyl)benzene;2-methyl-5-propan-2-ylpyridine;1-methyl-4-(3-propan-2-yl-2-pyridinyl)piperazine;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;1-(2-methylpropyl)imidazole;1-(2-methylpropyl)-3-methylsulfanylbenzene;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;5-(2-methylpropyl)pyrimidine;2-piperidin-1-yl-3-propan-2-ylpyridine;bis(2-piperidin-1-yl-4-propan-2-ylpyridine);4-propan-2-yl-1,3-benzodioxole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;1-(3-propan-2-yl-2-pyridinyl)piperazine;1-(4-propan-2-yl-2-pyridinyl)piperazine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-triazole;2-(4-propan-2-yltriazol-1-yl)acetamide;2-(4-propan-2-yltriazol-1-yl)ethanol
CID 158139092
1-ethyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;1-methylsulfonyl-3-propan-2-ylbenzene;bis(2-piperidin-1-yl-4-propan-2-ylpyridine);4-propan-2-yl-1,3-benzodioxole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;1-(4-propan-2-yl-2-pyridinyl)piperazine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-triazole
CID 160074612
1-bromo-3-propan-2-ylbenzene;3-(2,3-dimethylbutyl)thiophene;1-methyl-4-(3-propan-2-yl-2-pyridinyl)piperazine;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;1-(2-methylpropyl)imidazole;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;5-(2-methylpropyl)pyrimidine;1-methylsulfanyl-3-propan-2-ylbenzene;2-piperidin-1-yl-3-propan-2-ylpyridine;bis(2-piperidin-1-yl-4-propan-2-ylpyridine);4-propan-2-yl-1,3-benzodioxole;4-(3-propan-2-yl-2-pyridinyl)morpholine;4-(4-propan-2-yl-2-pyridinyl)morpholine;1-(3-propan-2-yl-2-pyridinyl)piperazine;1-(4-propan-2-yl-2-pyridinyl)piperazine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-triazole;2-(4-propan-2-yltriazol-1-yl)acetamide;2-(4-propan-2-yltriazol-1-yl)ethanol
CID 160865082
1-bromo-3-propan-2-ylbenzene;3-(2,3-dimethylbutyl)thiophene;1-methyl-4-(3-propan-2-yl-2-pyridinyl)piperazine;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;1-(2-methylpropyl)imidazole;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;5-(2-methylpropyl)pyrimidine;1-methylsulfanyl-3-propan-2-ylbenzene;bis(2-piperidin-1-yl-4-propan-2-ylpyridine);4-propan-2-yl-1,3-benzodioxole;4-(3-propan-2-yl-2-pyridinyl)morpholine;bis(1-(3-propan-2-yl-2-pyridinyl)piperazine);2-propan-2-ylpyrimidine;4-propan-2-yl-2H-triazole;2-(4-propan-2-yltriazol-1-yl)acetamide;2-(4-propan-2-yltriazol-1-yl)ethanol
CID 161868909

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-propan-2-ylbenzene;3-(2,3-dimethylbutyl)thiophene;methane;1-methyl-4-(3-propan-2-yl-2-pyridinyl)piperazine;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;1-(2-methylpropyl)imidazole;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;5-(2-methylpropyl)pyrimidine;1-methylsulfanyl-3-propan-2-ylbenzene;2-piperidin-1-yl-3-propan-2-ylpyridine;bis(2-piperidin-1-yl-4-propan-2-ylpyridine);4-propan-2-yl-1,3-benzodioxole;4-(3-propan-2-yl-2-pyridinyl)morpholine;4-(4-propan-2-yl-2-pyridinyl)morpholine;1-(3-propan-2-yl-2-pyridinyl)piperazine;1-(4-propan-2-yl-2-pyridinyl)piperazine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-triazole;2-(4-propan-2-yltriazol-1-yl)acetamide;2-(4-propan-2-yltriazol-1-yl)ethanol?
The IUPAC name of 1-bromo-3-propan-2-ylbenzene;3-(2,3-dimethylbutyl)thiophene;methane;1-methyl-4-(3-propan-2-yl-2-pyridinyl)piperazine;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;1-(2-methylpropyl)imidazole;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;5-(2-methylpropyl)pyrimidine;1-methylsulfanyl-3-propan-2-ylbenzene;2-piperidin-1-yl-3-propan-2-ylpyridine;bis(2-piperidin-1-yl-4-propan-2-ylpyridine);4-propan-2-yl-1,3-benzodioxole;4-(3-propan-2-yl-2-pyridinyl)morpholine;4-(4-propan-2-yl-2-pyridinyl)morpholine;1-(3-propan-2-yl-2-pyridinyl)piperazine;1-(4-propan-2-yl-2-pyridinyl)piperazine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-triazole;2-(4-propan-2-yltriazol-1-yl)acetamide;2-(4-propan-2-yltriazol-1-yl)ethanol (CID 158263558) is 1-bromo-3-propan-2-ylbenzene;3-(2,3-dimethylbutyl)thiophene;methane;1-methyl-4-(3-propan-2-yl-2-pyridinyl)piperazine;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;1-(2-methylpropyl)imidazole;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;5-(2-methylpropyl)pyrimidine;1-methylsulfanyl-3-propan-2-ylbenzene;2-piperidin-1-yl-3-propan-2-ylpyridine;bis(2-piperidin-1-yl-4-propan-2-ylpyridine);4-propan-2-yl-1,3-benzodioxole;4-(3-propan-2-yl-2-pyridinyl)morpholine;4-(4-propan-2-yl-2-pyridinyl)morpholine;1-(3-propan-2-yl-2-pyridinyl)piperazine;1-(4-propan-2-yl-2-pyridinyl)piperazine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-triazole;2-(4-propan-2-yltriazol-1-yl)acetamide;2-(4-propan-2-yltriazol-1-yl)ethanol.
What is the SMILES notation for 1-bromo-3-propan-2-ylbenzene;3-(2,3-dimethylbutyl)thiophene;methane;1-methyl-4-(3-propan-2-yl-2-pyridinyl)piperazine;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;1-(2-methylpropyl)imidazole;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;5-(2-methylpropyl)pyrimidine;1-methylsulfanyl-3-propan-2-ylbenzene;2-piperidin-1-yl-3-propan-2-ylpyridine;bis(2-piperidin-1-yl-4-propan-2-ylpyridine);4-propan-2-yl-1,3-benzodioxole;4-(3-propan-2-yl-2-pyridinyl)morpholine;4-(4-propan-2-yl-2-pyridinyl)morpholine;1-(3-propan-2-yl-2-pyridinyl)piperazine;1-(4-propan-2-yl-2-pyridinyl)piperazine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-triazole;2-(4-propan-2-yltriazol-1-yl)acetamide;2-(4-propan-2-yltriazol-1-yl)ethanol?
The canonical SMILES for 1-bromo-3-propan-2-ylbenzene;3-(2,3-dimethylbutyl)thiophene;methane;1-methyl-4-(3-propan-2-yl-2-pyridinyl)piperazine;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;1-(2-methylpropyl)imidazole;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;5-(2-methylpropyl)pyrimidine;1-methylsulfanyl-3-propan-2-ylbenzene;2-piperidin-1-yl-3-propan-2-ylpyridine;bis(2-piperidin-1-yl-4-propan-2-ylpyridine);4-propan-2-yl-1,3-benzodioxole;4-(3-propan-2-yl-2-pyridinyl)morpholine;4-(4-propan-2-yl-2-pyridinyl)morpholine;1-(3-propan-2-yl-2-pyridinyl)piperazine;1-(4-propan-2-yl-2-pyridinyl)piperazine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-triazole;2-(4-propan-2-yltriazol-1-yl)acetamide;2-(4-propan-2-yltriazol-1-yl)ethanol is C.CC(C)C(C)Cc1ccsc1.CC(C)Cc1cccnc1.CC(C)Cc1ccncc1.CC(C)Cc1cncnc1.CC(C)Cc1ncccn1.CC(C)Cn1ccnc1.CC(C)c1cccc(Br)c1.CC(C)c1cccc2c1OCO2.CC(C)c1cccnc1N1CCCCC1.CC(C)c1cccnc1N1CCN(C)CC1.CC(C)c1cccnc1N1CCNCC1.CC(C)c1cccnc1N1CCOCC1.CC(C)c1ccnc(N2CCCCC2)c1.CC(C)c1ccnc(N2CCCCC2)c1.CC(C)c1ccnc(N2CCN(C)CC2)c1.CC(C)c1ccnc(N2CCNCC2)c1.CC(C)c1ccnc(N2CCOCC2)c1.CC(C)c1cn(CC(N)=O)nn1.CC(C)c1cn(CCO)nn1.CC(C)c1cn[nH]n1.CC(C)c1ncccn1.CSc1cccc(C(C)C)c1.
What is the InChIKey of 1-bromo-3-propan-2-ylbenzene;3-(2,3-dimethylbutyl)thiophene;methane;1-methyl-4-(3-propan-2-yl-2-pyridinyl)piperazine;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;1-(2-methylpropyl)imidazole;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;5-(2-methylpropyl)pyrimidine;1-methylsulfanyl-3-propan-2-ylbenzene;2-piperidin-1-yl-3-propan-2-ylpyridine;bis(2-piperidin-1-yl-4-propan-2-ylpyridine);4-propan-2-yl-1,3-benzodioxole;4-(3-propan-2-yl-2-pyridinyl)morpholine;4-(4-propan-2-yl-2-pyridinyl)morpholine;1-(3-propan-2-yl-2-pyridinyl)piperazine;1-(4-propan-2-yl-2-pyridinyl)piperazine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-triazole;2-(4-propan-2-yltriazol-1-yl)acetamide;2-(4-propan-2-yltriazol-1-yl)ethanol?
The InChIKey is GIEABCATZXZFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H21N3.3C13H20N2.2C12H19N3.2C12H18N2O.C10H12O2.C10H16S.C10H14S.C9H11Br.2C9H13N.2C8H12N2.C7H12N4O.C7H13N3O.C7H12N2.C7H10N2.C5H9N3.CH4/c1-11(2)12-4-5-14-13(10-12)16-8-6-15(3)7-9-16;1-11(2)12-5-4-6-14-13(12)16-9-7-15(3)8-10-16;1-11(2)12-7-6-8-14-13(12)15-9-4-3-5-10-15;2*1-11(2)12-6-7-14-13(10-12)15-8-4-3-5-9-15;1-10(2)11-3-4-14-12(9-11)15-7-5-13-6-8-15;1-10(2)11-4-3-5-14-12(11)15-8-6-13-7-9-15;1-10(2)11-3-4-13-12(9-11)14-5-7-15-8-6-14;1-10(2)11-4-3-5-13-12(11)14-6-8-15-9-7-14;1-7(2)8-4-3-5-9-10(8)12-6-11-9;1-8(2)9(3)6-10-4-5-11-7-10;1-8(2)9-5-4-6-10(7-9)11-3;1-7(2)8-4-3-5-9(10)6-8;1-8(2)7-9-3-5-10-6-4-9;1-8(2)6-9-4-3-5-10-7-9;1-7(2)3-8-4-9-6-10-5-8;1-7(2)6-8-9-4-3-5-10-8;1-5(2)6-3-11(10-9-6)4-7(8)12;1-6(2)7-5-10(3-4-11)9-8-7;1-7(2)5-9-4-3-8-6-9;1-6(2)7-8-4-3-5-9-7;1-4(2)5-3-6-8-7-5;/h4-5,10-11H,6-9H2,1-3H3;4-6,11H,7-10H2,1-3H3;6-8,11H,3-5,9-10H2,1-2H3;2*6-7,10-11H,3-5,8-9H2,1-2H3;3-4,9-10,13H,5-8H2,1-2H3;3-5,10,13H,6-9H2,1-2H3;3-4,9-10H,5-8H2,1-2H3;3-5,10H,6-9H2,1-2H3;3-5,7H,6H2,1-2H3;4-5,7-9H,6H2,1-3H3;4-8H,1-3H3;3-7H,1-2H3;3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;4-7H,3H2,1-2H3;3-5,7H,6H2,1-2H3;3,5H,4H2,1-2H3,(H2,8,12);5-6,11H,3-4H2,1-2H3;3-4,6-7H,5H2,1-2H3;3-6H,1-2H3;3-4H,1-2H3,(H,6,7,8);1H4.
What are the key properties of 1-bromo-3-propan-2-ylbenzene;3-(2,3-dimethylbutyl)thiophene;methane;1-methyl-4-(3-propan-2-yl-2-pyridinyl)piperazine;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;1-(2-methylpropyl)imidazole;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;5-(2-methylpropyl)pyrimidine;1-methylsulfanyl-3-propan-2-ylbenzene;2-piperidin-1-yl-3-propan-2-ylpyridine;bis(2-piperidin-1-yl-4-propan-2-ylpyridine);4-propan-2-yl-1,3-benzodioxole;4-(3-propan-2-yl-2-pyridinyl)morpholine;4-(4-propan-2-yl-2-pyridinyl)morpholine;1-(3-propan-2-yl-2-pyridinyl)piperazine;1-(4-propan-2-yl-2-pyridinyl)piperazine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-triazole;2-(4-propan-2-yltriazol-1-yl)acetamide;2-(4-propan-2-yltriazol-1-yl)ethanol?
1-bromo-3-propan-2-ylbenzene;3-(2,3-dimethylbutyl)thiophene;methane;1-methyl-4-(3-propan-2-yl-2-pyridinyl)piperazine;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;1-(2-methylpropyl)imidazole;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;5-(2-methylpropyl)pyrimidine;1-methylsulfanyl-3-propan-2-ylbenzene;2-piperidin-1-yl-3-propan-2-ylpyridine;bis(2-piperidin-1-yl-4-propan-2-ylpyridine);4-propan-2-yl-1,3-benzodioxole;4-(3-propan-2-yl-2-pyridinyl)morpholine;4-(4-propan-2-yl-2-pyridinyl)morpholine;1-(3-propan-2-yl-2-pyridinyl)piperazine;1-(4-propan-2-yl-2-pyridinyl)piperazine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-triazole;2-(4-propan-2-yltriazol-1-yl)acetamide;2-(4-propan-2-yltriazol-1-yl)ethanol has a molecular weight of 3812.46 g/mol, XLogP of 46.93, 43 rotatable bonds, 5 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-propan-2-ylbenzene;3-(2,3-dimethylbutyl)thiophene;methane;1-methyl-4-(3-propan-2-yl-2-pyridinyl)piperazine;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;1-(2-methylpropyl)imidazole;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;5-(2-methylpropyl)pyrimidine;1-methylsulfanyl-3-propan-2-ylbenzene;2-piperidin-1-yl-3-propan-2-ylpyridine;bis(2-piperidin-1-yl-4-propan-2-ylpyridine);4-propan-2-yl-1,3-benzodioxole;4-(3-propan-2-yl-2-pyridinyl)morpholine;4-(4-propan-2-yl-2-pyridinyl)morpholine;1-(3-propan-2-yl-2-pyridinyl)piperazine;1-(4-propan-2-yl-2-pyridinyl)piperazine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-triazole;2-(4-propan-2-yltriazol-1-yl)acetamide;2-(4-propan-2-yltriazol-1-yl)ethanol is sourced from PubChem (CID 158263558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).