2-tert-butyl-1-ethylimidazole;5-tert-butyl-1-methylimidazole;5-tert-butyl-3-methyl-1,2-oxazole;2-tert-butyl-1-phenylimidazole;4-tert-butyl-1-propan-2-ylimidazole;1-tert-butylpyrazole;2-(4-tert-butylpyrazol-1-yl)pyridine;2-tert-butyl-1,4,5-trimethylimidazole;4-chloro-1-propan-2-ylimidazole;3,5-dimethyl-1-propan-2-ylpyrazole;bis(1,2-di(propan-2-yl)imidazole);1-ethyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;2-methyl-1-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;1-phenyl-2-propan-2-ylimidazole;4-phenyl-1-propan-2-ylimidazole;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;(1-propan-2-ylimidazol-4-yl)methanol;4-propan-2-yl-2H-pyrrole;1-propan-2-yl-4-(trifluoromethyl)imidazole

C195H307ClF3N45O2 — CID 158471695

IUPAC2-tert-butyl-1-ethylimidazole;5-tert-butyl-1-methylimidazole;5-tert-butyl-3-methyl-1,2-oxazole;2-tert-butyl-1-phenylimidazole;4-tert-butyl-1-propan-2-ylimidazole;1-tert-butylpyrazole;2-(4-tert-butylpyrazol-1-yl)pyridine;2-tert-butyl-1,4,5-trimethylimidazole;4-chloro-1-propan-2-ylimidazole;3,5-dimethyl-1-propan-2-ylpyrazole;bis(1,2-di(propan-2-yl)imidazole);1-ethyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;2-methyl-1-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;1-phenyl-2-propan-2-ylimidazole;4-phenyl-1-propan-2-ylimidazole;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;(1-propan-2-ylimidazol-4-yl)methanol;4-propan-2-yl-2H-pyrrole;1-propan-2-yl-4-(trifluoromethyl)imidazole
SMILESCC(C)(C)c1cnn(-c2ccccn2)c1.CC(C)(C)c1nccn1-c1ccccc1.CC(C)(C)n1cccn1.CC(C)C1=CCN=C1.CC(C)c1cn(C)cn1.CC(C)c1ncc[nH]1.CC(C)c1nccn1-c1ccccc1.CC(C)c1nccn1C(C)C.CC(C)c1nccn1C(C)C.CC(C)n1ccnc1.CC(C)n1cnc(-c2ccccc2)c1.CC(C)n1cnc(C(C)(C)C)c1.CC(C)n1cnc(C(F)(F)F)c1.CC(C)n1cnc(CO)c1.CC(C)n1cnc(Cl)c1.CCn1ccnc1C(C)(C)C.CCn1cnc(C(C)C)c1.Cc1cc(C(C)(C)C)on1.Cc1cc(C)n(C(C)C)n1.Cc1cn(C(C)C)cn1.Cc1nc(C(C)(C)C)n(C)c1C.Cc1nccn1C(C)C.Cn1cncc1C(C)(C)C
InChIInChI=1S/C13H16N2.C12H15N3.2C12H14N2.2C10H18N2.3C9H16N2.3C8H14N2.C8H13NO.C7H9F3N2.C7H12N2O.4C7H12N2.C7H11N.C6H9ClN2.2C6H10N2/c1-13(2,3)12-14-9-10-15(12)11-7-5-4-6-8-11;1-12(2,3)10-8-14-15(9-10)11-6-4-5-7-13-11;1-10(2)14-8-12(13-9-14)11-6-4-3-5-7-11;1-10(2)12-13-8-9-14(12)11-6-4-3-5-7-11;1-8(2)12-6-9(11-7-12)10(3,4)5;1-7-8(2)12(6)9(11-7)10(3,4)5;2*1-7(2)9-10-5-6-11(9)8(3)4;1-5-11-7-6-10-8(11)9(2,3)4;1-8(2,3)7-5-9-6-10(7)4;1-6(2)10-8(4)5-7(3)9-10;1-4-10-5-8(7(2)3)9-6-10;1-6-5-7(10-9-6)8(2,3)4;1-5(2)12-3-6(11-4-12)7(8,9)10;1-6(2)9-3-7(4-10)8-5-9;1-6(2)7-4-9(3)5-8-7;1-6(2)9-4-7(3)8-5-9;1-7(2,3)9-6-4-5-8-9;1-6(2)9-5-4-8-7(9)3;1-6(2)7-3-4-8-5-7;1-5(2)9-3-6(7)8-4-9;1-6(2)8-4-3-7-5-8;1-5(2)6-7-3-4-8-6/h4-10H,1-3H3;4-9H,1-3H3;2*3-10H,1-2H3;6-8H,1-5H3;1-6H3;2*5-8H,1-4H3;6-7H,5H2,1-4H3;2*5-6H,1-4H3;5-7H,4H2,1-3H3;5H,1-4H3;3-5H,1-2H3;3,5-6,10H,4H2,1-2H3;4*4-6H,1-3H3;3,5-6H,4H2,1-2H3;3-5H,1-2H3;3-6H,1-2H3;3-5H,1-2H3,(H,7,8)
InChIKeyHGKQDCGEFZCTHK-UHFFFAOYSA-N
MW3406.36 g/mol
LogP49.37
Rot. Bonds25

About 2-tert-butyl-1-ethylimidazole;5-tert-butyl-1-methylimidazole;5-tert-butyl-3-methyl-1,2-oxazole;2-tert-butyl-1-phenylimidazole;4-tert-butyl-1-propan-2-ylimidazole;1-tert-butylpyrazole;2-(4-tert-butylpyrazol-1-yl)pyridine;2-tert-butyl-1,4,5-trimethylimidazole;4-chloro-1-propan-2-ylimidazole;3,5-dimethyl-1-propan-2-ylpyrazole;bis(1,2-di(propan-2-yl)imidazole);1-ethyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;2-methyl-1-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;1-phenyl-2-propan-2-ylimidazole;4-phenyl-1-propan-2-ylimidazole;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;(1-propan-2-ylimidazol-4-yl)methanol;4-propan-2-yl-2H-pyrrole;1-propan-2-yl-4-(trifluoromethyl)imidazole

2-tert-butyl-1-ethylimidazole;5-tert-butyl-1-methylimidazole;5-tert-butyl-3-methyl-1,2-oxazole;2-tert-butyl-1-phenylimidazole;4-tert-butyl-1-propan-2-ylimidazole;1-tert-butylpyrazole;2-(4-tert-butylpyrazol-1-yl)pyridine;2-tert-butyl-1,4,5-trimethylimidazole;4-chloro-1-propan-2-ylimidazole;3,5-dimethyl-1-propan-2-ylpyrazole;bis(1,2-di(propan-2-yl)imidazole);1-ethyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;2-methyl-1-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;1-phenyl-2-propan-2-ylimidazole;4-phenyl-1-propan-2-ylimidazole;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;(1-propan-2-ylimidazol-4-yl)methanol;4-propan-2-yl-2H-pyrrole;1-propan-2-yl-4-(trifluoromethyl)imidazole (PubChem CID 158471695) has the molecular formula C195H307ClF3N45O2 and a molecular weight of 3406.36 g/mol. Its IUPAC name is 2-tert-butyl-1-ethylimidazole;5-tert-butyl-1-methylimidazole;5-tert-butyl-3-methyl-1,2-oxazole;2-tert-butyl-1-phenylimidazole;4-tert-butyl-1-propan-2-ylimidazole;1-tert-butylpyrazole;2-(4-tert-butylpyrazol-1-yl)pyridine;2-tert-butyl-1,4,5-trimethylimidazole;4-chloro-1-propan-2-ylimidazole;3,5-dimethyl-1-propan-2-ylpyrazole;bis(1,2-di(propan-2-yl)imidazole);1-ethyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;2-methyl-1-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;1-phenyl-2-propan-2-ylimidazole;4-phenyl-1-propan-2-ylimidazole;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;(1-propan-2-ylimidazol-4-yl)methanol;4-propan-2-yl-2H-pyrrole;1-propan-2-yl-4-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name2-tert-butyl-1-ethylimidazole;5-tert-butyl-1-methylimidazole;5-tert-butyl-3-methyl-1,2-oxazole;2-tert-butyl-1-phenylimidazole;4-tert-butyl-1-propan-2-ylimidazole;1-tert-butylpyrazole;2-(4-tert-butylpyrazol-1-yl)pyridine;2-tert-butyl-1,4,5-trimethylimidazole;4-chloro-1-propan-2-ylimidazole;3,5-dimethyl-1-propan-2-ylpyrazole;bis(1,2-di(propan-2-yl)imidazole);1-ethyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;2-methyl-1-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;1-phenyl-2-propan-2-ylimidazole;4-phenyl-1-propan-2-ylimidazole;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;(1-propan-2-ylimidazol-4-yl)methanol;4-propan-2-yl-2H-pyrrole;1-propan-2-yl-4-(trifluoromethyl)imidazole
PubChem CID158471695
Molecular FormulaC195H307ClF3N45O2
Molecular Weight3406.36 g/mol
Exact Mass3403.49
IUPAC Name2-tert-butyl-1-ethylimidazole;5-tert-butyl-1-methylimidazole;5-tert-butyl-3-methyl-1,2-oxazole;2-tert-butyl-1-phenylimidazole;4-tert-butyl-1-propan-2-ylimidazole;1-tert-butylpyrazole;2-(4-tert-butylpyrazol-1-yl)pyridine;2-tert-butyl-1,4,5-trimethylimidazole;4-chloro-1-propan-2-ylimidazole;3,5-dimethyl-1-propan-2-ylpyrazole;bis(1,2-di(propan-2-yl)imidazole);1-ethyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;2-methyl-1-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;1-phenyl-2-propan-2-ylimidazole;4-phenyl-1-propan-2-ylimidazole;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;(1-propan-2-ylimidazol-4-yl)methanol;4-propan-2-yl-2H-pyrrole;1-propan-2-yl-4-(trifluoromethyl)imidazole
SMILESCC(C)(C)c1cnn(-c2ccccn2)c1.CC(C)(C)c1nccn1-c1ccccc1.CC(C)(C)n1cccn1.CC(C)C1=CCN=C1.CC(C)c1cn(C)cn1.CC(C)c1ncc[nH]1.CC(C)c1nccn1-c1ccccc1.CC(C)c1nccn1C(C)C.CC(C)c1nccn1C(C)C.CC(C)n1ccnc1.CC(C)n1cnc(-c2ccccc2)c1.CC(C)n1cnc(C(C)(C)C)c1.CC(C)n1cnc(C(F)(F)F)c1.CC(C)n1cnc(CO)c1.CC(C)n1cnc(Cl)c1.CCn1ccnc1C(C)(C)C.CCn1cnc(C(C)C)c1.Cc1cc(C(C)(C)C)on1.Cc1cc(C)n(C(C)C)n1.Cc1cn(C(C)C)cn1.Cc1nc(C(C)(C)C)n(C)c1C.Cc1nccn1C(C)C.Cn1cncc1C(C)(C)C
InChIInChI=1S/C13H16N2.C12H15N3.2C12H14N2.2C10H18N2.3C9H16N2.3C8H14N2.C8H13NO.C7H9F3N2.C7H12N2O.4C7H12N2.C7H11N.C6H9ClN2.2C6H10N2/c1-13(2,3)12-14-9-10-15(12)11-7-5-4-6-8-11;1-12(2,3)10-8-14-15(9-10)11-6-4-5-7-13-11;1-10(2)14-8-12(13-9-14)11-6-4-3-5-7-11;1-10(2)12-13-8-9-14(12)11-6-4-3-5-7-11;1-8(2)12-6-9(11-7-12)10(3,4)5;1-7-8(2)12(6)9(11-7)10(3,4)5;2*1-7(2)9-10-5-6-11(9)8(3)4;1-5-11-7-6-10-8(11)9(2,3)4;1-8(2,3)7-5-9-6-10(7)4;1-6(2)10-8(4)5-7(3)9-10;1-4-10-5-8(7(2)3)9-6-10;1-6-5-7(10-9-6)8(2,3)4;1-5(2)12-3-6(11-4-12)7(8,9)10;1-6(2)9-3-7(4-10)8-5-9;1-6(2)7-4-9(3)5-8-7;1-6(2)9-4-7(3)8-5-9;1-7(2,3)9-6-4-5-8-9;1-6(2)9-5-4-8-7(9)3;1-6(2)7-3-4-8-5-7;1-5(2)9-3-6(7)8-4-9;1-6(2)8-4-3-7-5-8;1-5(2)6-7-3-4-8-6/h4-10H,1-3H3;4-9H,1-3H3;2*3-10H,1-2H3;6-8H,1-5H3;1-6H3;2*5-8H,1-4H3;6-7H,5H2,1-4H3;2*5-6H,1-4H3;5-7H,4H2,1-3H3;5H,1-4H3;3-5H,1-2H3;3,5-6,10H,4H2,1-2H3;4*4-6H,1-3H3;3,5-6H,4H2,1-2H3;3-5H,1-2H3;3-6H,1-2H3;3-5H,1-2H3,(H,7,8)
InChIKeyHGKQDCGEFZCTHK-UHFFFAOYSA-N
XLogP49.37
TPSA456.59 Ų
H-Bond Donors2
H-Bond Acceptors46
Rotatable Bonds25
Heavy Atoms246
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003406.36
LogP ≤ 549.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1046

Analyze 2-tert-butyl-1-ethylimidazole;5-tert-butyl-1-methylimidazole;5-tert-butyl-3-methyl-1,2-oxazole;2-tert-butyl-1-phenylimidazole;4-tert-butyl-1-propan-2-ylimidazole;1-tert-butylpyrazole;2-(4-tert-butylpyrazol-1-yl)pyridine;2-tert-butyl-1,4,5-trimethylimidazole;4-chloro-1-propan-2-ylimidazole;3,5-dimethyl-1-propan-2-ylpyrazole;bis(1,2-di(propan-2-yl)imidazole);1-ethyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;2-methyl-1-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;1-phenyl-2-propan-2-ylimidazole;4-phenyl-1-propan-2-ylimidazole;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;(1-propan-2-ylimidazol-4-yl)methanol;4-propan-2-yl-2H-pyrrole;1-propan-2-yl-4-(trifluoromethyl)imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
1-tert-butylimidazole;5-tert-butyl-1-methylimidazole;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butylpyrimidine;1-tert-butylpyrrole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole
CID 159269954
benzyl N-(1-methylpyrrol-3-yl)carbamate;5-chloro-1-methylpyridin-2-one;1,2-dimethylimidazole;1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;N,N-dimethyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine;3,5-dimethyl-1,2,4-oxadiazole;1,4-dimethylpyridin-2-one;2-ethyl-1-methylimidazole;1-methylbenzimidazole;1-methylbenzotriazole;3-methylimidazo[4,5-b]pyridine;1-methylimidazole;2-methyl-1H-imidazole;2-(1-methylimidazol-4-yl)ethanamine;2-methyl-1H-pentazol-2-ium;1-methyl-4-phenylimidazole;1-methylpyrazole;1-methyltetrazole;1-methyl-5-(trifluoromethyl)pyridin-2-one;1-methyl-5-(trifluoromethyl)tetrazole;1,2,4-trimethylimidazole;1,3,5-trimethylpyrazole
CID 158923179
tert-butylbenzene;2-tert-butylpyridine;2-tert-butylthiophene;3-tert-butylthiophene;cumene;1,5-dimethyl-3-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrazole;3-methyl-5-propan-2-yl-2H-pyrrole;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);5-propan-2-ylpyrimidine;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-2H-pyrrole;3-propan-2-ylquinoline
CID 158732338
1,4-dimethyl-2-propan-2-ylimidazole;1,5-dimethyl-2-propan-2-ylimidazole;4,5-dimethyl-1-propan-2-ylimidazole;4,5-dimethyl-2-propan-2-yl-1H-imidazole;1-methyl-2-propan-2-ylimidazole;2-methyl-1-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;5-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;4-methyl-2-propan-2-ylthiophene;1-propan-2-ylimidazole;2-propan-2-ylthiophene;1,4,5-trimethyl-2-propan-2-ylimidazole;2,4,5-trimethyl-1-propan-2-ylimidazole
CID 164948120
bis(1,3-dimethyl-5-propan-2-ylpyrazole);methane;3-methyl-2-propan-2-ylfuran;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-yl-1,2,4-triazole;3-propan-2-yl-1-azabicyclo[2.2.2]octane;propan-2-ylcyclohexane;3-propan-2-ylcyclohexan-1-one;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;1-(6-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;5-propan-2-yl-1H-pyrazole;1-(4-propan-2-ylpyrimidin-2-yl)oxybutan-2-ol;2-propan-2-yl-1H-pyrrole
CID 160862190
1,2-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)imidazole
CID 163475933
tert-butylbenzene;2-tert-butylpyridine;2-tert-butylthiophene;3-tert-butylthiophene;1,5-dimethyl-3-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrazole;3-methyl-5-propan-2-yl-2H-pyrrole;2-propan-2-ylpyrazine;4-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-2H-pyrrole;3-propan-2-ylquinoline
CID 158344040
[4-chloro-2-(3,3-difluoroazetidin-1-yl)-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol
CID 118006438
[2,4-dichloro-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol
CID 118006365
2-(1,1-difluoroethyl)-1-propan-2-ylimidazole;5,6-dimethoxy-1-propan-2-ylbenzimidazole;3,5-dimethyl-4-propan-2-yl-1,2,4-triazole;N-ethyl-N-propan-2-ylacetamide;5-methoxy-1-propan-2-ylbenzimidazole;N-methyl-N-propan-2-ylbenzenesulfonamide;2-methyl-1-propan-2-ylbenzimidazole;2-methyl-1-propan-2-ylimidazole;1-methyl-3-propan-2-ylimidazolidine-2,4-dione;1-methyl-3-propan-2-ylimidazolidin-2-one;N-methyl-N-propan-2-ylmethanesulfonamide;1-phenyl-3-propan-2-ylimidazolidine-2,4-dione;1-phenyl-3-propan-2-ylimidazolidin-2-one;1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-ylimidazole;1-propan-2-ylindole;9-propan-2-ylpurine;1-propan-2-ylpyrazole;2-propan-2-ylpyrazole-3-carbonitrile;1-propan-2-ylpyrazolo[5,4-b]pyridine;1-propan-2-ylpyrrolidine-2,5-dione;1-propan-2-ylpyrrolidin-2-one;1-propan-2-ylpyrrolo[2,3-b]pyridine;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-yltetrazole;1-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole;1-propan-2-yl-4-(trifluoromethyl)pyrazole
CID 159877622
1-[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-2-yl]azetidin-3-ol
CID 118006186

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-ethylimidazole;5-tert-butyl-1-methylimidazole;5-tert-butyl-3-methyl-1,2-oxazole;2-tert-butyl-1-phenylimidazole;4-tert-butyl-1-propan-2-ylimidazole;1-tert-butylpyrazole;2-(4-tert-butylpyrazol-1-yl)pyridine;2-tert-butyl-1,4,5-trimethylimidazole;4-chloro-1-propan-2-ylimidazole;3,5-dimethyl-1-propan-2-ylpyrazole;bis(1,2-di(propan-2-yl)imidazole);1-ethyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;2-methyl-1-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;1-phenyl-2-propan-2-ylimidazole;4-phenyl-1-propan-2-ylimidazole;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;(1-propan-2-ylimidazol-4-yl)methanol;4-propan-2-yl-2H-pyrrole;1-propan-2-yl-4-(trifluoromethyl)imidazole?
The IUPAC name of 2-tert-butyl-1-ethylimidazole;5-tert-butyl-1-methylimidazole;5-tert-butyl-3-methyl-1,2-oxazole;2-tert-butyl-1-phenylimidazole;4-tert-butyl-1-propan-2-ylimidazole;1-tert-butylpyrazole;2-(4-tert-butylpyrazol-1-yl)pyridine;2-tert-butyl-1,4,5-trimethylimidazole;4-chloro-1-propan-2-ylimidazole;3,5-dimethyl-1-propan-2-ylpyrazole;bis(1,2-di(propan-2-yl)imidazole);1-ethyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;2-methyl-1-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;1-phenyl-2-propan-2-ylimidazole;4-phenyl-1-propan-2-ylimidazole;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;(1-propan-2-ylimidazol-4-yl)methanol;4-propan-2-yl-2H-pyrrole;1-propan-2-yl-4-(trifluoromethyl)imidazole (CID 158471695) is 2-tert-butyl-1-ethylimidazole;5-tert-butyl-1-methylimidazole;5-tert-butyl-3-methyl-1,2-oxazole;2-tert-butyl-1-phenylimidazole;4-tert-butyl-1-propan-2-ylimidazole;1-tert-butylpyrazole;2-(4-tert-butylpyrazol-1-yl)pyridine;2-tert-butyl-1,4,5-trimethylimidazole;4-chloro-1-propan-2-ylimidazole;3,5-dimethyl-1-propan-2-ylpyrazole;bis(1,2-di(propan-2-yl)imidazole);1-ethyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;2-methyl-1-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;1-phenyl-2-propan-2-ylimidazole;4-phenyl-1-propan-2-ylimidazole;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;(1-propan-2-ylimidazol-4-yl)methanol;4-propan-2-yl-2H-pyrrole;1-propan-2-yl-4-(trifluoromethyl)imidazole.
What is the SMILES notation for 2-tert-butyl-1-ethylimidazole;5-tert-butyl-1-methylimidazole;5-tert-butyl-3-methyl-1,2-oxazole;2-tert-butyl-1-phenylimidazole;4-tert-butyl-1-propan-2-ylimidazole;1-tert-butylpyrazole;2-(4-tert-butylpyrazol-1-yl)pyridine;2-tert-butyl-1,4,5-trimethylimidazole;4-chloro-1-propan-2-ylimidazole;3,5-dimethyl-1-propan-2-ylpyrazole;bis(1,2-di(propan-2-yl)imidazole);1-ethyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;2-methyl-1-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;1-phenyl-2-propan-2-ylimidazole;4-phenyl-1-propan-2-ylimidazole;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;(1-propan-2-ylimidazol-4-yl)methanol;4-propan-2-yl-2H-pyrrole;1-propan-2-yl-4-(trifluoromethyl)imidazole?
The canonical SMILES for 2-tert-butyl-1-ethylimidazole;5-tert-butyl-1-methylimidazole;5-tert-butyl-3-methyl-1,2-oxazole;2-tert-butyl-1-phenylimidazole;4-tert-butyl-1-propan-2-ylimidazole;1-tert-butylpyrazole;2-(4-tert-butylpyrazol-1-yl)pyridine;2-tert-butyl-1,4,5-trimethylimidazole;4-chloro-1-propan-2-ylimidazole;3,5-dimethyl-1-propan-2-ylpyrazole;bis(1,2-di(propan-2-yl)imidazole);1-ethyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;2-methyl-1-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;1-phenyl-2-propan-2-ylimidazole;4-phenyl-1-propan-2-ylimidazole;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;(1-propan-2-ylimidazol-4-yl)methanol;4-propan-2-yl-2H-pyrrole;1-propan-2-yl-4-(trifluoromethyl)imidazole is CC(C)(C)c1cnn(-c2ccccn2)c1.CC(C)(C)c1nccn1-c1ccccc1.CC(C)(C)n1cccn1.CC(C)C1=CCN=C1.CC(C)c1cn(C)cn1.CC(C)c1ncc[nH]1.CC(C)c1nccn1-c1ccccc1.CC(C)c1nccn1C(C)C.CC(C)c1nccn1C(C)C.CC(C)n1ccnc1.CC(C)n1cnc(-c2ccccc2)c1.CC(C)n1cnc(C(C)(C)C)c1.CC(C)n1cnc(C(F)(F)F)c1.CC(C)n1cnc(CO)c1.CC(C)n1cnc(Cl)c1.CCn1ccnc1C(C)(C)C.CCn1cnc(C(C)C)c1.Cc1cc(C(C)(C)C)on1.Cc1cc(C)n(C(C)C)n1.Cc1cn(C(C)C)cn1.Cc1nc(C(C)(C)C)n(C)c1C.Cc1nccn1C(C)C.Cn1cncc1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1-ethylimidazole;5-tert-butyl-1-methylimidazole;5-tert-butyl-3-methyl-1,2-oxazole;2-tert-butyl-1-phenylimidazole;4-tert-butyl-1-propan-2-ylimidazole;1-tert-butylpyrazole;2-(4-tert-butylpyrazol-1-yl)pyridine;2-tert-butyl-1,4,5-trimethylimidazole;4-chloro-1-propan-2-ylimidazole;3,5-dimethyl-1-propan-2-ylpyrazole;bis(1,2-di(propan-2-yl)imidazole);1-ethyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;2-methyl-1-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;1-phenyl-2-propan-2-ylimidazole;4-phenyl-1-propan-2-ylimidazole;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;(1-propan-2-ylimidazol-4-yl)methanol;4-propan-2-yl-2H-pyrrole;1-propan-2-yl-4-(trifluoromethyl)imidazole?
The InChIKey is HGKQDCGEFZCTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2.C12H15N3.2C12H14N2.2C10H18N2.3C9H16N2.3C8H14N2.C8H13NO.C7H9F3N2.C7H12N2O.4C7H12N2.C7H11N.C6H9ClN2.2C6H10N2/c1-13(2,3)12-14-9-10-15(12)11-7-5-4-6-8-11;1-12(2,3)10-8-14-15(9-10)11-6-4-5-7-13-11;1-10(2)14-8-12(13-9-14)11-6-4-3-5-7-11;1-10(2)12-13-8-9-14(12)11-6-4-3-5-7-11;1-8(2)12-6-9(11-7-12)10(3,4)5;1-7-8(2)12(6)9(11-7)10(3,4)5;2*1-7(2)9-10-5-6-11(9)8(3)4;1-5-11-7-6-10-8(11)9(2,3)4;1-8(2,3)7-5-9-6-10(7)4;1-6(2)10-8(4)5-7(3)9-10;1-4-10-5-8(7(2)3)9-6-10;1-6-5-7(10-9-6)8(2,3)4;1-5(2)12-3-6(11-4-12)7(8,9)10;1-6(2)9-3-7(4-10)8-5-9;1-6(2)7-4-9(3)5-8-7;1-6(2)9-4-7(3)8-5-9;1-7(2,3)9-6-4-5-8-9;1-6(2)9-5-4-8-7(9)3;1-6(2)7-3-4-8-5-7;1-5(2)9-3-6(7)8-4-9;1-6(2)8-4-3-7-5-8;1-5(2)6-7-3-4-8-6/h4-10H,1-3H3;4-9H,1-3H3;2*3-10H,1-2H3;6-8H,1-5H3;1-6H3;2*5-8H,1-4H3;6-7H,5H2,1-4H3;2*5-6H,1-4H3;5-7H,4H2,1-3H3;5H,1-4H3;3-5H,1-2H3;3,5-6,10H,4H2,1-2H3;4*4-6H,1-3H3;3,5-6H,4H2,1-2H3;3-5H,1-2H3;3-6H,1-2H3;3-5H,1-2H3,(H,7,8).
What are the key properties of 2-tert-butyl-1-ethylimidazole;5-tert-butyl-1-methylimidazole;5-tert-butyl-3-methyl-1,2-oxazole;2-tert-butyl-1-phenylimidazole;4-tert-butyl-1-propan-2-ylimidazole;1-tert-butylpyrazole;2-(4-tert-butylpyrazol-1-yl)pyridine;2-tert-butyl-1,4,5-trimethylimidazole;4-chloro-1-propan-2-ylimidazole;3,5-dimethyl-1-propan-2-ylpyrazole;bis(1,2-di(propan-2-yl)imidazole);1-ethyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;2-methyl-1-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;1-phenyl-2-propan-2-ylimidazole;4-phenyl-1-propan-2-ylimidazole;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;(1-propan-2-ylimidazol-4-yl)methanol;4-propan-2-yl-2H-pyrrole;1-propan-2-yl-4-(trifluoromethyl)imidazole?
2-tert-butyl-1-ethylimidazole;5-tert-butyl-1-methylimidazole;5-tert-butyl-3-methyl-1,2-oxazole;2-tert-butyl-1-phenylimidazole;4-tert-butyl-1-propan-2-ylimidazole;1-tert-butylpyrazole;2-(4-tert-butylpyrazol-1-yl)pyridine;2-tert-butyl-1,4,5-trimethylimidazole;4-chloro-1-propan-2-ylimidazole;3,5-dimethyl-1-propan-2-ylpyrazole;bis(1,2-di(propan-2-yl)imidazole);1-ethyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;2-methyl-1-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;1-phenyl-2-propan-2-ylimidazole;4-phenyl-1-propan-2-ylimidazole;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;(1-propan-2-ylimidazol-4-yl)methanol;4-propan-2-yl-2H-pyrrole;1-propan-2-yl-4-(trifluoromethyl)imidazole has a molecular weight of 3406.36 g/mol, XLogP of 49.37, 25 rotatable bonds, 2 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-ethylimidazole;5-tert-butyl-1-methylimidazole;5-tert-butyl-3-methyl-1,2-oxazole;2-tert-butyl-1-phenylimidazole;4-tert-butyl-1-propan-2-ylimidazole;1-tert-butylpyrazole;2-(4-tert-butylpyrazol-1-yl)pyridine;2-tert-butyl-1,4,5-trimethylimidazole;4-chloro-1-propan-2-ylimidazole;3,5-dimethyl-1-propan-2-ylpyrazole;bis(1,2-di(propan-2-yl)imidazole);1-ethyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;2-methyl-1-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;1-phenyl-2-propan-2-ylimidazole;4-phenyl-1-propan-2-ylimidazole;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;(1-propan-2-ylimidazol-4-yl)methanol;4-propan-2-yl-2H-pyrrole;1-propan-2-yl-4-(trifluoromethyl)imidazole is sourced from PubChem (CID 158471695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).