2-tert-butyl-1,3-dimethylimidazol-1-ium;4-tert-butyl-1-ethylimidazole;4-[2-(2-tert-butylimidazol-1-yl)ethyl]morpholine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-1-methylimidazole;bis(4-tert-butyl-1-methylimidazole);bis(5-tert-butyl-1-methylimidazole);(2-tert-butyl-3-methylimidazol-4-yl)methanol;2-tert-butyl-3-methyl-N-(2-morpholin-4-ylethyl)imidazole-4-carboxamide;5-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butyl-1-propan-2-ylimidazole;6-tert-butylpyridine-2-carbaldehyde;2-tert-butyl-3H-pyrrole;2-tert-butyl-1,3,4-thiadiazole;bis(2-tert-butylthiophene);2-fluoro-5-propan-2-ylpyridine;methyl 2-tert-butyl-3-methylimidazole-4-carboxylate

C180H300FN36O8S3+ — CID 158354496

IUPAC2-tert-butyl-1,3-dimethylimidazol-1-ium;4-tert-butyl-1-ethylimidazole;4-[2-(2-tert-butylimidazol-1-yl)ethyl]morpholine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-1-methylimidazole;bis(4-tert-butyl-1-methylimidazole);bis(5-tert-butyl-1-methylimidazole);(2-tert-butyl-3-methylimidazol-4-yl)methanol;2-tert-butyl-3-methyl-N-(2-morpholin-4-ylethyl)imidazole-4-carboxamide;5-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butyl-1-propan-2-ylimidazole;6-tert-butylpyridine-2-carbaldehyde;2-tert-butyl-3H-pyrrole;2-tert-butyl-1,3,4-thiadiazole;bis(2-tert-butylthiophene);2-fluoro-5-propan-2-ylpyridine;methyl 2-tert-butyl-3-methylimidazole-4-carboxylate
SMILESCC(C)(C)C1=NC=CC1.CC(C)(C)c1cccc(C=O)n1.CC(C)(C)c1cccs1.CC(C)(C)c1cccs1.CC(C)(C)c1nccn1CCN1CCOCC1.CC(C)(C)c1nncs1.CC(C)c1ccc(F)nc1.CC(C)n1ccnc1C(C)(C)C.CCn1cnc(C(C)(C)C)c1.COC(=O)c1cnc(C(C)(C)C)n1C.COc1ccc(C(C)(C)C)cn1.Cn1c(C(=O)NCCN2CCOCC2)cnc1C(C)(C)C.Cn1c(CO)cnc1C(C)(C)C.Cn1cc[n+](C)c1C(C)(C)C.Cn1ccnc1C(C)(C)C.Cn1cnc(C(C)(C)C)c1.Cn1cnc(C(C)(C)C)c1.Cn1cncc1C(C)(C)C.Cn1cncc1C(C)(C)C.Cn1ncnc1C(C)(C)C
InChIInChI=1S/C15H26N4O2.C13H23N3O.C10H16N2O2.C10H18N2.C10H15NO.C10H13NO.C9H16N2O.C9H17N2.C9H16N2.C8H10FN.5C8H14N2.C8H13N.2C8H12S.C7H13N3.C6H10N2S/c1-15(2,3)14-17-11-12(18(14)4)13(20)16-5-6-19-7-9-21-10-8-19;1-13(2,3)12-14-4-5-16(12)7-6-15-8-10-17-11-9-15;1-10(2,3)9-11-6-7(12(9)4)8(13)14-5;1-8(2)12-7-6-11-9(12)10(3,4)5;1-10(2,3)8-5-6-9(12-4)11-7-8;1-10(2,3)9-6-4-5-8(7-12)11-9;1-9(2,3)8-10-5-7(6-12)11(8)4;1-9(2,3)8-10(4)6-7-11(8)5;1-5-11-6-8(10-7-11)9(2,3)4;1-6(2)7-3-4-8(9)10-5-7;2*1-8(2,3)7-5-10(4)6-9-7;2*1-8(2,3)7-5-9-6-10(7)4;1-8(2,3)7-9-5-6-10(7)4;3*1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-8-5-9-10(6)4;1-6(2,3)5-8-7-4-9-5/h11H,5-10H2,1-4H3,(H,16,20);4-5H,6-11H2,1-3H3;6H,1-5H3;6-8H,1-5H3;5-7H,1-4H3;4-7H,1-3H3;5,12H,6H2,1-4H3;6-7H,1-5H3;6-7H,5H2,1-4H3;3-6H,1-2H3;5*5-6H,1-4H3;4,6H,5H2,1-3H3;2*4-6H,1-3H3;5H,1-4H3;4H,1-3H3/q;;;;;;;+1;;;;;;;;;;;;
InChIKeyZDHIHUPABODPQL-UHFFFAOYSA-N
MW3211.82 g/mol
LogP38.06
Rot. Bonds14

About 2-tert-butyl-1,3-dimethylimidazol-1-ium;4-tert-butyl-1-ethylimidazole;4-[2-(2-tert-butylimidazol-1-yl)ethyl]morpholine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-1-methylimidazole;bis(4-tert-butyl-1-methylimidazole);bis(5-tert-butyl-1-methylimidazole);(2-tert-butyl-3-methylimidazol-4-yl)methanol;2-tert-butyl-3-methyl-N-(2-morpholin-4-ylethyl)imidazole-4-carboxamide;5-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butyl-1-propan-2-ylimidazole;6-tert-butylpyridine-2-carbaldehyde;2-tert-butyl-3H-pyrrole;2-tert-butyl-1,3,4-thiadiazole;bis(2-tert-butylthiophene);2-fluoro-5-propan-2-ylpyridine;methyl 2-tert-butyl-3-methylimidazole-4-carboxylate

2-tert-butyl-1,3-dimethylimidazol-1-ium;4-tert-butyl-1-ethylimidazole;4-[2-(2-tert-butylimidazol-1-yl)ethyl]morpholine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-1-methylimidazole;bis(4-tert-butyl-1-methylimidazole);bis(5-tert-butyl-1-methylimidazole);(2-tert-butyl-3-methylimidazol-4-yl)methanol;2-tert-butyl-3-methyl-N-(2-morpholin-4-ylethyl)imidazole-4-carboxamide;5-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butyl-1-propan-2-ylimidazole;6-tert-butylpyridine-2-carbaldehyde;2-tert-butyl-3H-pyrrole;2-tert-butyl-1,3,4-thiadiazole;bis(2-tert-butylthiophene);2-fluoro-5-propan-2-ylpyridine;methyl 2-tert-butyl-3-methylimidazole-4-carboxylate (PubChem CID 158354496) has the molecular formula C180H300FN36O8S3+ and a molecular weight of 3211.82 g/mol. Its IUPAC name is 2-tert-butyl-1,3-dimethylimidazol-1-ium;4-tert-butyl-1-ethylimidazole;4-[2-(2-tert-butylimidazol-1-yl)ethyl]morpholine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-1-methylimidazole;bis(4-tert-butyl-1-methylimidazole);bis(5-tert-butyl-1-methylimidazole);(2-tert-butyl-3-methylimidazol-4-yl)methanol;2-tert-butyl-3-methyl-N-(2-morpholin-4-ylethyl)imidazole-4-carboxamide;5-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butyl-1-propan-2-ylimidazole;6-tert-butylpyridine-2-carbaldehyde;2-tert-butyl-3H-pyrrole;2-tert-butyl-1,3,4-thiadiazole;bis(2-tert-butylthiophene);2-fluoro-5-propan-2-ylpyridine;methyl 2-tert-butyl-3-methylimidazole-4-carboxylate.

Molecular Properties

Compound Name2-tert-butyl-1,3-dimethylimidazol-1-ium;4-tert-butyl-1-ethylimidazole;4-[2-(2-tert-butylimidazol-1-yl)ethyl]morpholine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-1-methylimidazole;bis(4-tert-butyl-1-methylimidazole);bis(5-tert-butyl-1-methylimidazole);(2-tert-butyl-3-methylimidazol-4-yl)methanol;2-tert-butyl-3-methyl-N-(2-morpholin-4-ylethyl)imidazole-4-carboxamide;5-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butyl-1-propan-2-ylimidazole;6-tert-butylpyridine-2-carbaldehyde;2-tert-butyl-3H-pyrrole;2-tert-butyl-1,3,4-thiadiazole;bis(2-tert-butylthiophene);2-fluoro-5-propan-2-ylpyridine;methyl 2-tert-butyl-3-methylimidazole-4-carboxylate
PubChem CID158354496
Molecular FormulaC180H300FN36O8S3+
Molecular Weight3211.82 g/mol
Exact Mass3209.33
IUPAC Name2-tert-butyl-1,3-dimethylimidazol-1-ium;4-tert-butyl-1-ethylimidazole;4-[2-(2-tert-butylimidazol-1-yl)ethyl]morpholine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-1-methylimidazole;bis(4-tert-butyl-1-methylimidazole);bis(5-tert-butyl-1-methylimidazole);(2-tert-butyl-3-methylimidazol-4-yl)methanol;2-tert-butyl-3-methyl-N-(2-morpholin-4-ylethyl)imidazole-4-carboxamide;5-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butyl-1-propan-2-ylimidazole;6-tert-butylpyridine-2-carbaldehyde;2-tert-butyl-3H-pyrrole;2-tert-butyl-1,3,4-thiadiazole;bis(2-tert-butylthiophene);2-fluoro-5-propan-2-ylpyridine;methyl 2-tert-butyl-3-methylimidazole-4-carboxylate
SMILESCC(C)(C)C1=NC=CC1.CC(C)(C)c1cccc(C=O)n1.CC(C)(C)c1cccs1.CC(C)(C)c1cccs1.CC(C)(C)c1nccn1CCN1CCOCC1.CC(C)(C)c1nncs1.CC(C)c1ccc(F)nc1.CC(C)n1ccnc1C(C)(C)C.CCn1cnc(C(C)(C)C)c1.COC(=O)c1cnc(C(C)(C)C)n1C.COc1ccc(C(C)(C)C)cn1.Cn1c(C(=O)NCCN2CCOCC2)cnc1C(C)(C)C.Cn1c(CO)cnc1C(C)(C)C.Cn1cc[n+](C)c1C(C)(C)C.Cn1ccnc1C(C)(C)C.Cn1cnc(C(C)(C)C)c1.Cn1cnc(C(C)(C)C)c1.Cn1cncc1C(C)(C)C.Cn1cncc1C(C)(C)C.Cn1ncnc1C(C)(C)C
InChIInChI=1S/C15H26N4O2.C13H23N3O.C10H16N2O2.C10H18N2.C10H15NO.C10H13NO.C9H16N2O.C9H17N2.C9H16N2.C8H10FN.5C8H14N2.C8H13N.2C8H12S.C7H13N3.C6H10N2S/c1-15(2,3)14-17-11-12(18(14)4)13(20)16-5-6-19-7-9-21-10-8-19;1-13(2,3)12-14-4-5-16(12)7-6-15-8-10-17-11-9-15;1-10(2,3)9-11-6-7(12(9)4)8(13)14-5;1-8(2)12-7-6-11-9(12)10(3,4)5;1-10(2,3)8-5-6-9(12-4)11-7-8;1-10(2,3)9-6-4-5-8(7-12)11-9;1-9(2,3)8-10-5-7(6-12)11(8)4;1-9(2,3)8-10(4)6-7-11(8)5;1-5-11-6-8(10-7-11)9(2,3)4;1-6(2)7-3-4-8(9)10-5-7;2*1-8(2,3)7-5-10(4)6-9-7;2*1-8(2,3)7-5-9-6-10(7)4;1-8(2,3)7-9-5-6-10(7)4;3*1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-8-5-9-10(6)4;1-6(2,3)5-8-7-4-9-5/h11H,5-10H2,1-4H3,(H,16,20);4-5H,6-11H2,1-3H3;6H,1-5H3;6-8H,1-5H3;5-7H,1-4H3;4-7H,1-3H3;5,12H,6H2,1-4H3;6-7H,1-5H3;6-7H,5H2,1-4H3;3-6H,1-2H3;5*5-6H,1-4H3;4,6H,5H2,1-3H3;2*4-6H,1-3H3;5H,1-4H3;4H,1-3H3/q;;;;;;;+1;;;;;;;;;;;;
InChIKeyZDHIHUPABODPQL-UHFFFAOYSA-N
XLogP38.06
TPSA439.22 Ų
H-Bond Donors2
H-Bond Acceptors45
Rotatable Bonds14
Heavy Atoms228
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003211.82
LogP ≤ 538.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-tert-butyl-1,3-dimethylimidazol-1-ium;4-tert-butyl-1-ethylimidazole;4-[2-(2-tert-butylimidazol-1-yl)ethyl]morpholine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-1-methylimidazole;bis(4-tert-butyl-1-methylimidazole);bis(5-tert-butyl-1-methylimidazole);(2-tert-butyl-3-methylimidazol-4-yl)methanol;2-tert-butyl-3-methyl-N-(2-morpholin-4-ylethyl)imidazole-4-carboxamide;5-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butyl-1-propan-2-ylimidazole;6-tert-butylpyridine-2-carbaldehyde;2-tert-butyl-3H-pyrrole;2-tert-butyl-1,3,4-thiadiazole;bis(2-tert-butylthiophene);2-fluoro-5-propan-2-ylpyridine;methyl 2-tert-butyl-3-methylimidazole-4-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;2-fluoro-3-methyl-5-propan-2-ylpyridine;4-isocyano-1-propan-2-ylpyrazole;2-methoxy-4-propan-2-ylpyridine;4-methyl-1-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;2-methyl-5-(5-propan-2-yl-3-pyridinyl)-1,3,4-oxadiazole;4-methyl-2-propan-2-ylthiophene;3-methylsulfonyl-5-propan-2-ylpyridine;(1-propan-2-ylimidazol-4-yl)methanol;(1-propan-2-ylpyrazol-4-yl)methanol;5-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-ylpyridine-3-carbonitrile;5-propan-2-yl-1H-pyridin-2-one;(3-propan-2-yl-2-pyridinyl)methanol;4-propan-2-yl-2H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;3-propan-2-yl-2-(trifluoromethyl)pyridine
CID 159699727
1-tert-butyl-4-propan-2-ylcyclohexane;2-tert-butyl-5-propan-2-ylthiophene;1,1-difluoro-4-propan-2-ylcyclohexane;1,1-dimethyl-4-propan-2-ylcyclohexane;3,4-dimethyl-1-propan-2-ylpyrrolidine;1,4-di(propan-2-yl)cyclohexane;1-ethyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-phenyl-5-propan-2-ylthiophene;propan-2-ylcyclohexane;propan-2-ylcyclopentane;2-propan-2-ylfuran;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;2-propan-2-yloxolane;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-2H-pyrrole;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;2,2,3-trimethylbutan-1-ol
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8-amino-N-ethyl-N-(2-methoxyethyl)-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;[8-amino-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(3-methylpiperidin-1-yl)methanone;[8-amino-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-thiomorpholin-4-ylmethanone;8-amino-N-methyl-2-(5-methylfuran-2-yl)-N-propyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;[4-amino-2-(5-methylthiophen-2-yl)pyrazolo[1,5-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone;[8-amino-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone;[8-amino-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(2-methylpyrrolidin-1-yl)methanone;[8-amino-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-piperidin-1-ylmethanone
CID 157068617
2-[3-[5-ethyl-1-(4-methylpentyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-ethyl-4-(3-phenylpropyl)-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-[(Z)-prop-1-enyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-(6-methoxy-3-phenylmethoxy-2-pyridinyl)propyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[4-(3-thiophen-3-yl-2-pyridinyl)butyl]pyridine-4-carboxylic acid
CID 157173777
1-(3,3-dimethylbutyl)imidazole;1-(3,3-dimethylbutyl)piperidine;1-(3,3-dimethylbutyl)pyrazole;3-(3,3-dimethylbutyl)pyridine;4-(3,3-dimethylbutyl)pyridine;1-(3,3-dimethylbutyl)pyrrolidine;1-(3,3-dimethylbutyl)pyrrolidin-2-one;1-(3,3-dimethylbutyl)-1,2,4-triazole;1-(4,4-dimethylpentyl)pyrrolidin-2-one;2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)morpholine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;5-(2,2-dimethylpropyl)-2H-tetrazole;3-(2,2-dimethylpropyl)thiophene
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2-tert-butyl-1,3-diazinane;2-tert-butylfuran;1-tert-butylimidazole;3-tert-butylmorpholine;4-tert-butylmorpholine;2-tert-butyl-1,3-oxazole;1-tert-butylpiperidine;4-tert-butylpiperidine;3-tert-butyl-2H-pyran;4-tert-butyl-4H-pyran;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;1-tert-butylpyrrole;2-tert-butyl-3H-pyrrole;3-tert-butyl-2H-pyrrole;1-tert-butylpyrrolidine;3-tert-butylpyrrolidine;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butyl-2H-thiopyran;4-tert-butyl-4H-thiopyran
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2-Tert-butyl-1-methyl-5-propan-2-ylpyrrole;2-tert-butyl-3-propan-2-ylfuran;2-tert-butyl-5-propan-2-ylpyrazine;3-tert-butyl-6-propan-2-ylpyridazine;4-tert-butyl-2-propan-2-ylpyridine;2-tert-butyl-4-propan-2-ylpyrimidine;4-tert-butyl-6-propan-2-ylpyrimidine;5-tert-butyl-2-propan-2-ylpyrimidine;1-tert-butyl-2-propan-2-ylpyrrole;1-tert-butyl-3-propan-2-ylpyrrole;2-tert-butyl-3-propan-2-ylthiophene;1-cyclopropyl-3-propan-2-ylpyrazole;2,4-ditert-butyl-6-propan-2-yl-1,3,5-triazine;2-(2-fluoro-5-propan-2-ylphenyl)propan-2-ol;2-(2-methoxypropan-2-yl)-4-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrazole;2-[methyl-(6-propan-2-yl-2-pyridinyl)amino]ethanol;2-(6-propan-2-yl-2-pyridinyl)ethanol
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2-tert-butyl-1,3-dimethylimidazol-1-ium;4-tert-butyl-1-ethylimidazole;2-tert-butyl-5-ethyl-1,3-thiazole;4-[2-(2-tert-butylimidazol-1-yl)ethyl]morpholine;2-tert-butyl-6-methoxypyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-1-methylimidazole;bis(4-tert-butyl-1-methylimidazole);bis(5-tert-butyl-1-methylimidazole);(2-tert-butyl-3-methyl-1H-imidazol-3-ium-4-yl)methanol;5-tert-butyl-1-methyl-1,2,4-triazole;6-tert-butylpyridine-2-carbaldehyde;2-tert-butyl-3H-pyrrole;2-tert-butyl-1,3,4-thiadiazole;bis(2-tert-butylthiophene);carbon dioxide;ethyl 2-tert-butyl-1,3-thiazole-4-carboxylate
CID 158779456
8-amino-N,N-dipropyl-2-(1H-pyrrol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;8-amino-2-(furan-2-yl)-N-methyl-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;(2R)-1-(8-amino-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)pyrrolidine-2-carboxamide;(8-amino-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone;(8-amino-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone;(8-amino-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-(2-methylpyrrolidin-1-yl)methanone;(8-amino-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-piperidin-1-ylmethanone;(8-amino-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-pyrrolidin-1-ylmethanone
CID 158823028
tert-butylcyclohexane;tert-butylcyclopentane;2-tert-butylfuran;3-tert-butylfuran;1-tert-butylimidazole;4-tert-butyl-4H-imidazole;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpyrazine;2-tert-butyloxazine;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;2-tert-butyl-1,3-oxazolidine;3-tert-butyl-1,3-oxazolidine;4-tert-butyl-1,3-oxazolidine;2-tert-butyloxolane;3-tert-butyloxolane;1-tert-butylpiperidine;2-tert-butylpiperidine;4-tert-butylpiperidine;1-tert-butylpyrrole;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;1-tert-butyltetrazole;5-tert-butyl-2H-tetrazole;5-tert-butyl-5H-tetrazole;2-tert-butylthiolane;3-tert-butylthiolane;2-tert-butylthiophene;3-tert-butylthiophene;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;3-tert-butyl-3H-1,2,4-triazole;4-tert-butyl-4H-triazole;5-tert-butyl-1H-1,2,4-triazole
CID 159181661
2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-1,3,4-oxadiazole;1-tert-butylpyrazole;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2,6-dimethyl-3-propan-2-ylpyridine;2-methoxy-4-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine-2-carboxylic acid;5-propan-2-ylpyridine-3-carboxylic acid;(5-propan-2-ylpyrimidin-2-yl)methanol
CID 159825332
2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)pyrazine;1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)pyridazine;3,6-di(propan-2-yl)pyridazine;2,6-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;1,3-di(propan-2-yl)pyridin-2-one;1,5-di(propan-2-yl)pyridin-2-one;2,4-di(propan-2-yl)pyrimidine;2,5-di(propan-2-yl)pyrimidine;2,4-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene;1,3-di(propan-2-yl)-1,2,4-triazole;1-methyl-2,4-di(propan-2-yl)imidazole;1-methyl-3,5-di(propan-2-yl)pyrazole
CID 160344429

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,3-dimethylimidazol-1-ium;4-tert-butyl-1-ethylimidazole;4-[2-(2-tert-butylimidazol-1-yl)ethyl]morpholine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-1-methylimidazole;bis(4-tert-butyl-1-methylimidazole);bis(5-tert-butyl-1-methylimidazole);(2-tert-butyl-3-methylimidazol-4-yl)methanol;2-tert-butyl-3-methyl-N-(2-morpholin-4-ylethyl)imidazole-4-carboxamide;5-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butyl-1-propan-2-ylimidazole;6-tert-butylpyridine-2-carbaldehyde;2-tert-butyl-3H-pyrrole;2-tert-butyl-1,3,4-thiadiazole;bis(2-tert-butylthiophene);2-fluoro-5-propan-2-ylpyridine;methyl 2-tert-butyl-3-methylimidazole-4-carboxylate?
The IUPAC name of 2-tert-butyl-1,3-dimethylimidazol-1-ium;4-tert-butyl-1-ethylimidazole;4-[2-(2-tert-butylimidazol-1-yl)ethyl]morpholine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-1-methylimidazole;bis(4-tert-butyl-1-methylimidazole);bis(5-tert-butyl-1-methylimidazole);(2-tert-butyl-3-methylimidazol-4-yl)methanol;2-tert-butyl-3-methyl-N-(2-morpholin-4-ylethyl)imidazole-4-carboxamide;5-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butyl-1-propan-2-ylimidazole;6-tert-butylpyridine-2-carbaldehyde;2-tert-butyl-3H-pyrrole;2-tert-butyl-1,3,4-thiadiazole;bis(2-tert-butylthiophene);2-fluoro-5-propan-2-ylpyridine;methyl 2-tert-butyl-3-methylimidazole-4-carboxylate (CID 158354496) is 2-tert-butyl-1,3-dimethylimidazol-1-ium;4-tert-butyl-1-ethylimidazole;4-[2-(2-tert-butylimidazol-1-yl)ethyl]morpholine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-1-methylimidazole;bis(4-tert-butyl-1-methylimidazole);bis(5-tert-butyl-1-methylimidazole);(2-tert-butyl-3-methylimidazol-4-yl)methanol;2-tert-butyl-3-methyl-N-(2-morpholin-4-ylethyl)imidazole-4-carboxamide;5-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butyl-1-propan-2-ylimidazole;6-tert-butylpyridine-2-carbaldehyde;2-tert-butyl-3H-pyrrole;2-tert-butyl-1,3,4-thiadiazole;bis(2-tert-butylthiophene);2-fluoro-5-propan-2-ylpyridine;methyl 2-tert-butyl-3-methylimidazole-4-carboxylate.
What is the SMILES notation for 2-tert-butyl-1,3-dimethylimidazol-1-ium;4-tert-butyl-1-ethylimidazole;4-[2-(2-tert-butylimidazol-1-yl)ethyl]morpholine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-1-methylimidazole;bis(4-tert-butyl-1-methylimidazole);bis(5-tert-butyl-1-methylimidazole);(2-tert-butyl-3-methylimidazol-4-yl)methanol;2-tert-butyl-3-methyl-N-(2-morpholin-4-ylethyl)imidazole-4-carboxamide;5-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butyl-1-propan-2-ylimidazole;6-tert-butylpyridine-2-carbaldehyde;2-tert-butyl-3H-pyrrole;2-tert-butyl-1,3,4-thiadiazole;bis(2-tert-butylthiophene);2-fluoro-5-propan-2-ylpyridine;methyl 2-tert-butyl-3-methylimidazole-4-carboxylate?
The canonical SMILES for 2-tert-butyl-1,3-dimethylimidazol-1-ium;4-tert-butyl-1-ethylimidazole;4-[2-(2-tert-butylimidazol-1-yl)ethyl]morpholine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-1-methylimidazole;bis(4-tert-butyl-1-methylimidazole);bis(5-tert-butyl-1-methylimidazole);(2-tert-butyl-3-methylimidazol-4-yl)methanol;2-tert-butyl-3-methyl-N-(2-morpholin-4-ylethyl)imidazole-4-carboxamide;5-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butyl-1-propan-2-ylimidazole;6-tert-butylpyridine-2-carbaldehyde;2-tert-butyl-3H-pyrrole;2-tert-butyl-1,3,4-thiadiazole;bis(2-tert-butylthiophene);2-fluoro-5-propan-2-ylpyridine;methyl 2-tert-butyl-3-methylimidazole-4-carboxylate is CC(C)(C)C1=NC=CC1.CC(C)(C)c1cccc(C=O)n1.CC(C)(C)c1cccs1.CC(C)(C)c1cccs1.CC(C)(C)c1nccn1CCN1CCOCC1.CC(C)(C)c1nncs1.CC(C)c1ccc(F)nc1.CC(C)n1ccnc1C(C)(C)C.CCn1cnc(C(C)(C)C)c1.COC(=O)c1cnc(C(C)(C)C)n1C.COc1ccc(C(C)(C)C)cn1.Cn1c(C(=O)NCCN2CCOCC2)cnc1C(C)(C)C.Cn1c(CO)cnc1C(C)(C)C.Cn1cc[n+](C)c1C(C)(C)C.Cn1ccnc1C(C)(C)C.Cn1cnc(C(C)(C)C)c1.Cn1cnc(C(C)(C)C)c1.Cn1cncc1C(C)(C)C.Cn1cncc1C(C)(C)C.Cn1ncnc1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1,3-dimethylimidazol-1-ium;4-tert-butyl-1-ethylimidazole;4-[2-(2-tert-butylimidazol-1-yl)ethyl]morpholine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-1-methylimidazole;bis(4-tert-butyl-1-methylimidazole);bis(5-tert-butyl-1-methylimidazole);(2-tert-butyl-3-methylimidazol-4-yl)methanol;2-tert-butyl-3-methyl-N-(2-morpholin-4-ylethyl)imidazole-4-carboxamide;5-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butyl-1-propan-2-ylimidazole;6-tert-butylpyridine-2-carbaldehyde;2-tert-butyl-3H-pyrrole;2-tert-butyl-1,3,4-thiadiazole;bis(2-tert-butylthiophene);2-fluoro-5-propan-2-ylpyridine;methyl 2-tert-butyl-3-methylimidazole-4-carboxylate?
The InChIKey is ZDHIHUPABODPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2.C13H23N3O.C10H16N2O2.C10H18N2.C10H15NO.C10H13NO.C9H16N2O.C9H17N2.C9H16N2.C8H10FN.5C8H14N2.C8H13N.2C8H12S.C7H13N3.C6H10N2S/c1-15(2,3)14-17-11-12(18(14)4)13(20)16-5-6-19-7-9-21-10-8-19;1-13(2,3)12-14-4-5-16(12)7-6-15-8-10-17-11-9-15;1-10(2,3)9-11-6-7(12(9)4)8(13)14-5;1-8(2)12-7-6-11-9(12)10(3,4)5;1-10(2,3)8-5-6-9(12-4)11-7-8;1-10(2,3)9-6-4-5-8(7-12)11-9;1-9(2,3)8-10-5-7(6-12)11(8)4;1-9(2,3)8-10(4)6-7-11(8)5;1-5-11-6-8(10-7-11)9(2,3)4;1-6(2)7-3-4-8(9)10-5-7;2*1-8(2,3)7-5-10(4)6-9-7;2*1-8(2,3)7-5-9-6-10(7)4;1-8(2,3)7-9-5-6-10(7)4;3*1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-8-5-9-10(6)4;1-6(2,3)5-8-7-4-9-5/h11H,5-10H2,1-4H3,(H,16,20);4-5H,6-11H2,1-3H3;6H,1-5H3;6-8H,1-5H3;5-7H,1-4H3;4-7H,1-3H3;5,12H,6H2,1-4H3;6-7H,1-5H3;6-7H,5H2,1-4H3;3-6H,1-2H3;5*5-6H,1-4H3;4,6H,5H2,1-3H3;2*4-6H,1-3H3;5H,1-4H3;4H,1-3H3/q;;;;;;;+1;;;;;;;;;;;;.
What are the key properties of 2-tert-butyl-1,3-dimethylimidazol-1-ium;4-tert-butyl-1-ethylimidazole;4-[2-(2-tert-butylimidazol-1-yl)ethyl]morpholine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-1-methylimidazole;bis(4-tert-butyl-1-methylimidazole);bis(5-tert-butyl-1-methylimidazole);(2-tert-butyl-3-methylimidazol-4-yl)methanol;2-tert-butyl-3-methyl-N-(2-morpholin-4-ylethyl)imidazole-4-carboxamide;5-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butyl-1-propan-2-ylimidazole;6-tert-butylpyridine-2-carbaldehyde;2-tert-butyl-3H-pyrrole;2-tert-butyl-1,3,4-thiadiazole;bis(2-tert-butylthiophene);2-fluoro-5-propan-2-ylpyridine;methyl 2-tert-butyl-3-methylimidazole-4-carboxylate?
2-tert-butyl-1,3-dimethylimidazol-1-ium;4-tert-butyl-1-ethylimidazole;4-[2-(2-tert-butylimidazol-1-yl)ethyl]morpholine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-1-methylimidazole;bis(4-tert-butyl-1-methylimidazole);bis(5-tert-butyl-1-methylimidazole);(2-tert-butyl-3-methylimidazol-4-yl)methanol;2-tert-butyl-3-methyl-N-(2-morpholin-4-ylethyl)imidazole-4-carboxamide;5-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butyl-1-propan-2-ylimidazole;6-tert-butylpyridine-2-carbaldehyde;2-tert-butyl-3H-pyrrole;2-tert-butyl-1,3,4-thiadiazole;bis(2-tert-butylthiophene);2-fluoro-5-propan-2-ylpyridine;methyl 2-tert-butyl-3-methylimidazole-4-carboxylate has a molecular weight of 3211.82 g/mol, XLogP of 38.06, 14 rotatable bonds, 2 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,3-dimethylimidazol-1-ium;4-tert-butyl-1-ethylimidazole;4-[2-(2-tert-butylimidazol-1-yl)ethyl]morpholine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-1-methylimidazole;bis(4-tert-butyl-1-methylimidazole);bis(5-tert-butyl-1-methylimidazole);(2-tert-butyl-3-methylimidazol-4-yl)methanol;2-tert-butyl-3-methyl-N-(2-morpholin-4-ylethyl)imidazole-4-carboxamide;5-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butyl-1-propan-2-ylimidazole;6-tert-butylpyridine-2-carbaldehyde;2-tert-butyl-3H-pyrrole;2-tert-butyl-1,3,4-thiadiazole;bis(2-tert-butylthiophene);2-fluoro-5-propan-2-ylpyridine;methyl 2-tert-butyl-3-methylimidazole-4-carboxylate is sourced from PubChem (CID 158354496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).