1,3-dimethylimidazol-2-one;2,2-dimethylpropane;2,4-dimethyl-1,2,4-triazol-3-one;ethane;4H-imidazole;1-methylimidazole;1-methyl-4H-imidazol-5-one;tetradecakis(2-methylpropane);1-methyl-3-propan-2-yl-2H-imidazole;1-methyl-3-propan-2-ylimidazolidin-2-one;bis(1-methyl-3-propan-2-ylimidazol-2-one);2-methyl-4-propan-2-yl-3H-1,2,4-triazole;2-methyl-4-propan-2-yl-1,2,4-triazol-3-one;4-methyl-2-propan-2-yl-1,2,4-triazol-3-one;1-methylpyrazole;2-methyl-4H-pyrazol-3-one;1-methyl-1,2,4-triazole;2-methyltriazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1-propan-2-yl-4H-imidazol-5-one;tris(1-propan-2-ylpyrazole);2-propan-2-yl-4H-pyrazol-3-one;1-propan-2-ylpyrrole;2-propan-2-yltriazole;1,3,4-thiadiazole;1,3-thiazole

C256H551N61O15S2 — CID 159737549

IUPAC1,3-dimethylimidazol-2-one;2,2-dimethylpropane;2,4-dimethyl-1,2,4-triazol-3-one;ethane;4H-imidazole;1-methylimidazole;1-methyl-4H-imidazol-5-one;tetradecakis(2-methylpropane);1-methyl-3-propan-2-yl-2H-imidazole;1-methyl-3-propan-2-ylimidazolidin-2-one;bis(1-methyl-3-propan-2-ylimidazol-2-one);2-methyl-4-propan-2-yl-3H-1,2,4-triazole;2-methyl-4-propan-2-yl-1,2,4-triazol-3-one;4-methyl-2-propan-2-yl-1,2,4-triazol-3-one;1-methylpyrazole;2-methyl-4H-pyrazol-3-one;1-methyl-1,2,4-triazole;2-methyltriazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1-propan-2-yl-4H-imidazol-5-one;tris(1-propan-2-ylpyrazole);2-propan-2-yl-4H-pyrazol-3-one;1-propan-2-ylpyrrole;2-propan-2-yltriazole;1,3,4-thiadiazole;1,3-thiazole
SMILESC1=NC=NC1.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(C)(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)N1C=CN(C)C1.CC(C)N1C=NCC1=O.CC(C)N1C=NN(C)C1.CC(C)N1CCN(C)C1=O.CC(C)N1N=CCC1=O.CC(C)n1cccc1.CC(C)n1cccn1.CC(C)n1cccn1.CC(C)n1cccn1.CC(C)n1ccn(C)c1=O.CC(C)n1ccn(C)c1=O.CC(C)n1cnn(C)c1=O.CC(C)n1nccn1.CC(C)n1ncn(C)c1=O.CN1C=NCC1=O.CN1N=CCC1=O.Cn1cccn1.Cn1ccn(C)c1=O.Cn1ccnc1.Cn1cncn1.Cn1cnn(C)c1=O.Cn1nccn1.c1cnoc1.c1cocn1.c1cscn1.c1ncon1.c1nnco1.c1nncs1
InChIInChI=1S/C7H14N2O.2C7H12N2O.C7H14N2.C7H11N.2C6H11N3O.C6H13N3.2C6H10N2O.3C6H10N2.C5H9N3.C5H8N2O.C5H12.C4H7N3O.2C4H6N2O.2C4H6N2.14C4H10.2C3H5N3.C3H4N2.2C3H3NO.C3H3NS.2C2H2N2O.C2H2N2S.29C2H6/c3*1-6(2)9-5-4-8(3)7(9)10;1-7(2)9-5-4-8(3)6-9;1-7(2)8-5-3-4-6-8;1-5(2)9-4-7-8(3)6(9)10;1-5(2)9-6(10)8(3)4-7-9;1-6(2)9-4-7-8(3)5-9;1-5(2)8-4-7-3-6(8)9;1-5(2)8-6(9)3-4-7-8;3*1-6(2)8-5-3-4-7-8;1-5(2)8-6-3-4-7-8;1-6-3-4-7(2)5(6)8;1-5(2,3)4;1-6-3-5-7(2)4(6)8;1-6-3-5-2-4(6)7;1-6-4(7)2-3-5-6;1-6-3-2-5-4-6;1-6-4-2-3-5-6;14*1-4(2)3;1-6-3-4-2-5-6;1-6-4-2-3-5-6;2*1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-3-4-2-5-1;1-3-2-5-4-1;1-3-4-2-5-1;29*1-2/h6H,4-5H2,1-3H3;2*4-6H,1-3H3;4-5,7H,6H2,1-3H3;3-7H,1-2H3;2*4-5H,1-3H3;4,6H,5H2,1-3H3;2*4-5H,3H2,1-2H3;3*3-6H,1-2H3;3-5H,1-2H3;3-4H,1-2H3;1-4H3;3H,1-2H3;2*3H,2H2,1H3;2*2-4H,1H3;14*4H,1-3H3;2*2-3H,1H3;1,3H,2H2;3*1-3H;3*1-2H;29*1-2H3
InChIKeyNCAJCIVHDREZDP-UHFFFAOYSA-N
MW4788.77 g/mol
LogP69.42
Rot. Bonds14

About 1,3-dimethylimidazol-2-one;2,2-dimethylpropane;2,4-dimethyl-1,2,4-triazol-3-one;ethane;4H-imidazole;1-methylimidazole;1-methyl-4H-imidazol-5-one;tetradecakis(2-methylpropane);1-methyl-3-propan-2-yl-2H-imidazole;1-methyl-3-propan-2-ylimidazolidin-2-one;bis(1-methyl-3-propan-2-ylimidazol-2-one);2-methyl-4-propan-2-yl-3H-1,2,4-triazole;2-methyl-4-propan-2-yl-1,2,4-triazol-3-one;4-methyl-2-propan-2-yl-1,2,4-triazol-3-one;1-methylpyrazole;2-methyl-4H-pyrazol-3-one;1-methyl-1,2,4-triazole;2-methyltriazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1-propan-2-yl-4H-imidazol-5-one;tris(1-propan-2-ylpyrazole);2-propan-2-yl-4H-pyrazol-3-one;1-propan-2-ylpyrrole;2-propan-2-yltriazole;1,3,4-thiadiazole;1,3-thiazole

1,3-dimethylimidazol-2-one;2,2-dimethylpropane;2,4-dimethyl-1,2,4-triazol-3-one;ethane;4H-imidazole;1-methylimidazole;1-methyl-4H-imidazol-5-one;tetradecakis(2-methylpropane);1-methyl-3-propan-2-yl-2H-imidazole;1-methyl-3-propan-2-ylimidazolidin-2-one;bis(1-methyl-3-propan-2-ylimidazol-2-one);2-methyl-4-propan-2-yl-3H-1,2,4-triazole;2-methyl-4-propan-2-yl-1,2,4-triazol-3-one;4-methyl-2-propan-2-yl-1,2,4-triazol-3-one;1-methylpyrazole;2-methyl-4H-pyrazol-3-one;1-methyl-1,2,4-triazole;2-methyltriazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1-propan-2-yl-4H-imidazol-5-one;tris(1-propan-2-ylpyrazole);2-propan-2-yl-4H-pyrazol-3-one;1-propan-2-ylpyrrole;2-propan-2-yltriazole;1,3,4-thiadiazole;1,3-thiazole (PubChem CID 159737549) has the molecular formula C256H551N61O15S2 and a molecular weight of 4788.77 g/mol. Its IUPAC name is 1,3-dimethylimidazol-2-one;2,2-dimethylpropane;2,4-dimethyl-1,2,4-triazol-3-one;ethane;4H-imidazole;1-methylimidazole;1-methyl-4H-imidazol-5-one;tetradecakis(2-methylpropane);1-methyl-3-propan-2-yl-2H-imidazole;1-methyl-3-propan-2-ylimidazolidin-2-one;bis(1-methyl-3-propan-2-ylimidazol-2-one);2-methyl-4-propan-2-yl-3H-1,2,4-triazole;2-methyl-4-propan-2-yl-1,2,4-triazol-3-one;4-methyl-2-propan-2-yl-1,2,4-triazol-3-one;1-methylpyrazole;2-methyl-4H-pyrazol-3-one;1-methyl-1,2,4-triazole;2-methyltriazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1-propan-2-yl-4H-imidazol-5-one;tris(1-propan-2-ylpyrazole);2-propan-2-yl-4H-pyrazol-3-one;1-propan-2-ylpyrrole;2-propan-2-yltriazole;1,3,4-thiadiazole;1,3-thiazole.

Molecular Properties

Compound Name1,3-dimethylimidazol-2-one;2,2-dimethylpropane;2,4-dimethyl-1,2,4-triazol-3-one;ethane;4H-imidazole;1-methylimidazole;1-methyl-4H-imidazol-5-one;tetradecakis(2-methylpropane);1-methyl-3-propan-2-yl-2H-imidazole;1-methyl-3-propan-2-ylimidazolidin-2-one;bis(1-methyl-3-propan-2-ylimidazol-2-one);2-methyl-4-propan-2-yl-3H-1,2,4-triazole;2-methyl-4-propan-2-yl-1,2,4-triazol-3-one;4-methyl-2-propan-2-yl-1,2,4-triazol-3-one;1-methylpyrazole;2-methyl-4H-pyrazol-3-one;1-methyl-1,2,4-triazole;2-methyltriazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1-propan-2-yl-4H-imidazol-5-one;tris(1-propan-2-ylpyrazole);2-propan-2-yl-4H-pyrazol-3-one;1-propan-2-ylpyrrole;2-propan-2-yltriazole;1,3,4-thiadiazole;1,3-thiazole
PubChem CID159737549
Molecular FormulaC256H551N61O15S2
Molecular Weight4788.77 g/mol
Exact Mass4785.37
IUPAC Name1,3-dimethylimidazol-2-one;2,2-dimethylpropane;2,4-dimethyl-1,2,4-triazol-3-one;ethane;4H-imidazole;1-methylimidazole;1-methyl-4H-imidazol-5-one;tetradecakis(2-methylpropane);1-methyl-3-propan-2-yl-2H-imidazole;1-methyl-3-propan-2-ylimidazolidin-2-one;bis(1-methyl-3-propan-2-ylimidazol-2-one);2-methyl-4-propan-2-yl-3H-1,2,4-triazole;2-methyl-4-propan-2-yl-1,2,4-triazol-3-one;4-methyl-2-propan-2-yl-1,2,4-triazol-3-one;1-methylpyrazole;2-methyl-4H-pyrazol-3-one;1-methyl-1,2,4-triazole;2-methyltriazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1-propan-2-yl-4H-imidazol-5-one;tris(1-propan-2-ylpyrazole);2-propan-2-yl-4H-pyrazol-3-one;1-propan-2-ylpyrrole;2-propan-2-yltriazole;1,3,4-thiadiazole;1,3-thiazole
SMILESC1=NC=NC1.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(C)(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)N1C=CN(C)C1.CC(C)N1C=NCC1=O.CC(C)N1C=NN(C)C1.CC(C)N1CCN(C)C1=O.CC(C)N1N=CCC1=O.CC(C)n1cccc1.CC(C)n1cccn1.CC(C)n1cccn1.CC(C)n1cccn1.CC(C)n1ccn(C)c1=O.CC(C)n1ccn(C)c1=O.CC(C)n1cnn(C)c1=O.CC(C)n1nccn1.CC(C)n1ncn(C)c1=O.CN1C=NCC1=O.CN1N=CCC1=O.Cn1cccn1.Cn1ccn(C)c1=O.Cn1ccnc1.Cn1cncn1.Cn1cnn(C)c1=O.Cn1nccn1.c1cnoc1.c1cocn1.c1cscn1.c1ncon1.c1nnco1.c1nncs1
InChIInChI=1S/C7H14N2O.2C7H12N2O.C7H14N2.C7H11N.2C6H11N3O.C6H13N3.2C6H10N2O.3C6H10N2.C5H9N3.C5H8N2O.C5H12.C4H7N3O.2C4H6N2O.2C4H6N2.14C4H10.2C3H5N3.C3H4N2.2C3H3NO.C3H3NS.2C2H2N2O.C2H2N2S.29C2H6/c3*1-6(2)9-5-4-8(3)7(9)10;1-7(2)9-5-4-8(3)6-9;1-7(2)8-5-3-4-6-8;1-5(2)9-4-7-8(3)6(9)10;1-5(2)9-6(10)8(3)4-7-9;1-6(2)9-4-7-8(3)5-9;1-5(2)8-4-7-3-6(8)9;1-5(2)8-6(9)3-4-7-8;3*1-6(2)8-5-3-4-7-8;1-5(2)8-6-3-4-7-8;1-6-3-4-7(2)5(6)8;1-5(2,3)4;1-6-3-5-7(2)4(6)8;1-6-3-5-2-4(6)7;1-6-4(7)2-3-5-6;1-6-3-2-5-4-6;1-6-4-2-3-5-6;14*1-4(2)3;1-6-3-4-2-5-6;1-6-4-2-3-5-6;2*1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-3-4-2-5-1;1-3-2-5-4-1;1-3-4-2-5-1;29*1-2/h6H,4-5H2,1-3H3;2*4-6H,1-3H3;4-5,7H,6H2,1-3H3;3-7H,1-2H3;2*4-5H,1-3H3;4,6H,5H2,1-3H3;2*4-5H,3H2,1-2H3;3*3-6H,1-2H3;3-5H,1-2H3;3-4H,1-2H3;1-4H3;3H,1-2H3;2*3H,2H2,1H3;2*2-4H,1H3;14*4H,1-3H3;2*2-3H,1H3;1,3H,2H2;3*1-3H;3*1-2H;29*1-2H3
InChIKeyNCAJCIVHDREZDP-UHFFFAOYSA-N
XLogP69.42
TPSA759.25 Ų
H-Bond Donors
H-Bond Acceptors72
Rotatable Bonds14
Heavy Atoms334
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004788.77
LogP ≤ 569.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1072

Analyze 1,3-dimethylimidazol-2-one;2,2-dimethylpropane;2,4-dimethyl-1,2,4-triazol-3-one;ethane;4H-imidazole;1-methylimidazole;1-methyl-4H-imidazol-5-one;tetradecakis(2-methylpropane);1-methyl-3-propan-2-yl-2H-imidazole;1-methyl-3-propan-2-ylimidazolidin-2-one;bis(1-methyl-3-propan-2-ylimidazol-2-one);2-methyl-4-propan-2-yl-3H-1,2,4-triazole;2-methyl-4-propan-2-yl-1,2,4-triazol-3-one;4-methyl-2-propan-2-yl-1,2,4-triazol-3-one;1-methylpyrazole;2-methyl-4H-pyrazol-3-one;1-methyl-1,2,4-triazole;2-methyltriazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1-propan-2-yl-4H-imidazol-5-one;tris(1-propan-2-ylpyrazole);2-propan-2-yl-4H-pyrazol-3-one;1-propan-2-ylpyrrole;2-propan-2-yltriazole;1,3,4-thiadiazole;1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylimidazol-2-one;2,2-dimethylpropane;2,4-dimethyl-1,2,4-triazol-3-one;ethane;4H-imidazole;1-methylimidazole;1-methyl-4H-imidazol-5-one;tetradecakis(2-methylpropane);1-methyl-3-propan-2-yl-2H-imidazole;1-methyl-3-propan-2-ylimidazolidin-2-one;bis(1-methyl-3-propan-2-ylimidazol-2-one);2-methyl-4-propan-2-yl-3H-1,2,4-triazole;2-methyl-4-propan-2-yl-1,2,4-triazol-3-one;4-methyl-2-propan-2-yl-1,2,4-triazol-3-one;1-methylpyrazole;2-methyl-4H-pyrazol-3-one;1-methyl-1,2,4-triazole;2-methyltriazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1-propan-2-yl-4H-imidazol-5-one;tris(1-propan-2-ylpyrazole);2-propan-2-yl-4H-pyrazol-3-one;1-propan-2-ylpyrrole;2-propan-2-yltriazole;1,3,4-thiadiazole;1,3-thiazole?
The IUPAC name of 1,3-dimethylimidazol-2-one;2,2-dimethylpropane;2,4-dimethyl-1,2,4-triazol-3-one;ethane;4H-imidazole;1-methylimidazole;1-methyl-4H-imidazol-5-one;tetradecakis(2-methylpropane);1-methyl-3-propan-2-yl-2H-imidazole;1-methyl-3-propan-2-ylimidazolidin-2-one;bis(1-methyl-3-propan-2-ylimidazol-2-one);2-methyl-4-propan-2-yl-3H-1,2,4-triazole;2-methyl-4-propan-2-yl-1,2,4-triazol-3-one;4-methyl-2-propan-2-yl-1,2,4-triazol-3-one;1-methylpyrazole;2-methyl-4H-pyrazol-3-one;1-methyl-1,2,4-triazole;2-methyltriazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1-propan-2-yl-4H-imidazol-5-one;tris(1-propan-2-ylpyrazole);2-propan-2-yl-4H-pyrazol-3-one;1-propan-2-ylpyrrole;2-propan-2-yltriazole;1,3,4-thiadiazole;1,3-thiazole (CID 159737549) is 1,3-dimethylimidazol-2-one;2,2-dimethylpropane;2,4-dimethyl-1,2,4-triazol-3-one;ethane;4H-imidazole;1-methylimidazole;1-methyl-4H-imidazol-5-one;tetradecakis(2-methylpropane);1-methyl-3-propan-2-yl-2H-imidazole;1-methyl-3-propan-2-ylimidazolidin-2-one;bis(1-methyl-3-propan-2-ylimidazol-2-one);2-methyl-4-propan-2-yl-3H-1,2,4-triazole;2-methyl-4-propan-2-yl-1,2,4-triazol-3-one;4-methyl-2-propan-2-yl-1,2,4-triazol-3-one;1-methylpyrazole;2-methyl-4H-pyrazol-3-one;1-methyl-1,2,4-triazole;2-methyltriazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1-propan-2-yl-4H-imidazol-5-one;tris(1-propan-2-ylpyrazole);2-propan-2-yl-4H-pyrazol-3-one;1-propan-2-ylpyrrole;2-propan-2-yltriazole;1,3,4-thiadiazole;1,3-thiazole.
What is the SMILES notation for 1,3-dimethylimidazol-2-one;2,2-dimethylpropane;2,4-dimethyl-1,2,4-triazol-3-one;ethane;4H-imidazole;1-methylimidazole;1-methyl-4H-imidazol-5-one;tetradecakis(2-methylpropane);1-methyl-3-propan-2-yl-2H-imidazole;1-methyl-3-propan-2-ylimidazolidin-2-one;bis(1-methyl-3-propan-2-ylimidazol-2-one);2-methyl-4-propan-2-yl-3H-1,2,4-triazole;2-methyl-4-propan-2-yl-1,2,4-triazol-3-one;4-methyl-2-propan-2-yl-1,2,4-triazol-3-one;1-methylpyrazole;2-methyl-4H-pyrazol-3-one;1-methyl-1,2,4-triazole;2-methyltriazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1-propan-2-yl-4H-imidazol-5-one;tris(1-propan-2-ylpyrazole);2-propan-2-yl-4H-pyrazol-3-one;1-propan-2-ylpyrrole;2-propan-2-yltriazole;1,3,4-thiadiazole;1,3-thiazole?
The canonical SMILES for 1,3-dimethylimidazol-2-one;2,2-dimethylpropane;2,4-dimethyl-1,2,4-triazol-3-one;ethane;4H-imidazole;1-methylimidazole;1-methyl-4H-imidazol-5-one;tetradecakis(2-methylpropane);1-methyl-3-propan-2-yl-2H-imidazole;1-methyl-3-propan-2-ylimidazolidin-2-one;bis(1-methyl-3-propan-2-ylimidazol-2-one);2-methyl-4-propan-2-yl-3H-1,2,4-triazole;2-methyl-4-propan-2-yl-1,2,4-triazol-3-one;4-methyl-2-propan-2-yl-1,2,4-triazol-3-one;1-methylpyrazole;2-methyl-4H-pyrazol-3-one;1-methyl-1,2,4-triazole;2-methyltriazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1-propan-2-yl-4H-imidazol-5-one;tris(1-propan-2-ylpyrazole);2-propan-2-yl-4H-pyrazol-3-one;1-propan-2-ylpyrrole;2-propan-2-yltriazole;1,3,4-thiadiazole;1,3-thiazole is C1=NC=NC1.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(C)(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)N1C=CN(C)C1.CC(C)N1C=NCC1=O.CC(C)N1C=NN(C)C1.CC(C)N1CCN(C)C1=O.CC(C)N1N=CCC1=O.CC(C)n1cccc1.CC(C)n1cccn1.CC(C)n1cccn1.CC(C)n1cccn1.CC(C)n1ccn(C)c1=O.CC(C)n1ccn(C)c1=O.CC(C)n1cnn(C)c1=O.CC(C)n1nccn1.CC(C)n1ncn(C)c1=O.CN1C=NCC1=O.CN1N=CCC1=O.Cn1cccn1.Cn1ccn(C)c1=O.Cn1ccnc1.Cn1cncn1.Cn1cnn(C)c1=O.Cn1nccn1.c1cnoc1.c1cocn1.c1cscn1.c1ncon1.c1nnco1.c1nncs1.
What is the InChIKey of 1,3-dimethylimidazol-2-one;2,2-dimethylpropane;2,4-dimethyl-1,2,4-triazol-3-one;ethane;4H-imidazole;1-methylimidazole;1-methyl-4H-imidazol-5-one;tetradecakis(2-methylpropane);1-methyl-3-propan-2-yl-2H-imidazole;1-methyl-3-propan-2-ylimidazolidin-2-one;bis(1-methyl-3-propan-2-ylimidazol-2-one);2-methyl-4-propan-2-yl-3H-1,2,4-triazole;2-methyl-4-propan-2-yl-1,2,4-triazol-3-one;4-methyl-2-propan-2-yl-1,2,4-triazol-3-one;1-methylpyrazole;2-methyl-4H-pyrazol-3-one;1-methyl-1,2,4-triazole;2-methyltriazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1-propan-2-yl-4H-imidazol-5-one;tris(1-propan-2-ylpyrazole);2-propan-2-yl-4H-pyrazol-3-one;1-propan-2-ylpyrrole;2-propan-2-yltriazole;1,3,4-thiadiazole;1,3-thiazole?
The InChIKey is NCAJCIVHDREZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O.2C7H12N2O.C7H14N2.C7H11N.2C6H11N3O.C6H13N3.2C6H10N2O.3C6H10N2.C5H9N3.C5H8N2O.C5H12.C4H7N3O.2C4H6N2O.2C4H6N2.14C4H10.2C3H5N3.C3H4N2.2C3H3NO.C3H3NS.2C2H2N2O.C2H2N2S.29C2H6/c3*1-6(2)9-5-4-8(3)7(9)10;1-7(2)9-5-4-8(3)6-9;1-7(2)8-5-3-4-6-8;1-5(2)9-4-7-8(3)6(9)10;1-5(2)9-6(10)8(3)4-7-9;1-6(2)9-4-7-8(3)5-9;1-5(2)8-4-7-3-6(8)9;1-5(2)8-6(9)3-4-7-8;3*1-6(2)8-5-3-4-7-8;1-5(2)8-6-3-4-7-8;1-6-3-4-7(2)5(6)8;1-5(2,3)4;1-6-3-5-7(2)4(6)8;1-6-3-5-2-4(6)7;1-6-4(7)2-3-5-6;1-6-3-2-5-4-6;1-6-4-2-3-5-6;14*1-4(2)3;1-6-3-4-2-5-6;1-6-4-2-3-5-6;2*1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-3-4-2-5-1;1-3-2-5-4-1;1-3-4-2-5-1;29*1-2/h6H,4-5H2,1-3H3;2*4-6H,1-3H3;4-5,7H,6H2,1-3H3;3-7H,1-2H3;2*4-5H,1-3H3;4,6H,5H2,1-3H3;2*4-5H,3H2,1-2H3;3*3-6H,1-2H3;3-5H,1-2H3;3-4H,1-2H3;1-4H3;3H,1-2H3;2*3H,2H2,1H3;2*2-4H,1H3;14*4H,1-3H3;2*2-3H,1H3;1,3H,2H2;3*1-3H;3*1-2H;29*1-2H3.
What are the key properties of 1,3-dimethylimidazol-2-one;2,2-dimethylpropane;2,4-dimethyl-1,2,4-triazol-3-one;ethane;4H-imidazole;1-methylimidazole;1-methyl-4H-imidazol-5-one;tetradecakis(2-methylpropane);1-methyl-3-propan-2-yl-2H-imidazole;1-methyl-3-propan-2-ylimidazolidin-2-one;bis(1-methyl-3-propan-2-ylimidazol-2-one);2-methyl-4-propan-2-yl-3H-1,2,4-triazole;2-methyl-4-propan-2-yl-1,2,4-triazol-3-one;4-methyl-2-propan-2-yl-1,2,4-triazol-3-one;1-methylpyrazole;2-methyl-4H-pyrazol-3-one;1-methyl-1,2,4-triazole;2-methyltriazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1-propan-2-yl-4H-imidazol-5-one;tris(1-propan-2-ylpyrazole);2-propan-2-yl-4H-pyrazol-3-one;1-propan-2-ylpyrrole;2-propan-2-yltriazole;1,3,4-thiadiazole;1,3-thiazole?
1,3-dimethylimidazol-2-one;2,2-dimethylpropane;2,4-dimethyl-1,2,4-triazol-3-one;ethane;4H-imidazole;1-methylimidazole;1-methyl-4H-imidazol-5-one;tetradecakis(2-methylpropane);1-methyl-3-propan-2-yl-2H-imidazole;1-methyl-3-propan-2-ylimidazolidin-2-one;bis(1-methyl-3-propan-2-ylimidazol-2-one);2-methyl-4-propan-2-yl-3H-1,2,4-triazole;2-methyl-4-propan-2-yl-1,2,4-triazol-3-one;4-methyl-2-propan-2-yl-1,2,4-triazol-3-one;1-methylpyrazole;2-methyl-4H-pyrazol-3-one;1-methyl-1,2,4-triazole;2-methyltriazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1-propan-2-yl-4H-imidazol-5-one;tris(1-propan-2-ylpyrazole);2-propan-2-yl-4H-pyrazol-3-one;1-propan-2-ylpyrrole;2-propan-2-yltriazole;1,3,4-thiadiazole;1,3-thiazole has a molecular weight of 4788.77 g/mol, XLogP of 69.42, 14 rotatable bonds, 0 hydrogen bond donors, and 72 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylimidazol-2-one;2,2-dimethylpropane;2,4-dimethyl-1,2,4-triazol-3-one;ethane;4H-imidazole;1-methylimidazole;1-methyl-4H-imidazol-5-one;tetradecakis(2-methylpropane);1-methyl-3-propan-2-yl-2H-imidazole;1-methyl-3-propan-2-ylimidazolidin-2-one;bis(1-methyl-3-propan-2-ylimidazol-2-one);2-methyl-4-propan-2-yl-3H-1,2,4-triazole;2-methyl-4-propan-2-yl-1,2,4-triazol-3-one;4-methyl-2-propan-2-yl-1,2,4-triazol-3-one;1-methylpyrazole;2-methyl-4H-pyrazol-3-one;1-methyl-1,2,4-triazole;2-methyltriazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1-propan-2-yl-4H-imidazol-5-one;tris(1-propan-2-ylpyrazole);2-propan-2-yl-4H-pyrazol-3-one;1-propan-2-ylpyrrole;2-propan-2-yltriazole;1,3,4-thiadiazole;1,3-thiazole is sourced from PubChem (CID 159737549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).