5-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;6-tert-butyl-2-methylidene-3H-1-benzofuran;5-tert-butyl-2-methylidene-3H-1,3-benzoxazole;7-tert-butyl-3-methylidene-2,4-dihydro-1H-naphthalene;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;2-tert-butylnaphthalene;1-(4-tert-butylpiperidin-1-yl)ethanone;7-tert-butylquinoline;1-(2,2-dimethylpropyl)imidazole;5-(2,2-dimethylpropyl)-1H-imidazole;3-(2,2-dimethylpropyl)pyridine

C190H257N17O4 — CID 158455532

IUPAC5-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;6-tert-butyl-2-methylidene-3H-1-benzofuran;5-tert-butyl-2-methylidene-3H-1,3-benzoxazole;7-tert-butyl-3-methylidene-2,4-dihydro-1H-naphthalene;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;2-tert-butylnaphthalene;1-(4-tert-butylpiperidin-1-yl)ethanone;7-tert-butylquinoline;1-(2,2-dimethylpropyl)imidazole;5-(2,2-dimethylpropyl)-1H-imidazole;3-(2,2-dimethylpropyl)pyridine
SMILESC=C1CCc2cc(C(C)(C)C)ccc2C1.C=C1Cc2ccc(C(C)(C)C)cc2O1.C=C1Nc2cc(C(C)(C)C)ccc2O1.CC(=O)N1CCC(C(C)(C)C)CC1.CC(C)(C)Cc1cccnc1.CC(C)(C)Cc1cnc[nH]1.CC(C)(C)Cn1ccnc1.CC(C)(C)c1ccc2c(c1)CCC2=O.CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1ccc2cccnc2c1.CC(C)(C)c1ccc2cn[nH]c2c1.Cn1ccc2cc(C(C)(C)C)ccc21.Cn1ccc2ccc(C(C)(C)C)cc21.Cn1ncc2cc(C(C)(C)C)ccc21.Cn1ncc2ccc(C(C)(C)C)cc21
InChIInChI=1S/C15H20.C14H16.2C13H17N.C13H15N.2C13H16O.2C12H16N2.C12H15NO.C12H15N.C11H14N2.C11H21NO.C10H15N.2C8H14N2/c1-11-5-6-13-10-14(15(2,3)4)8-7-12(13)9-11;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-5-6-12-10(9-11)7-8-14(12)4;1-13(2,3)11-6-5-10-7-8-14(4)12(10)9-11;1-13(2,3)11-7-6-10-5-4-8-14-12(10)9-11;1-9-7-10-5-6-11(13(2,3)4)8-12(10)14-9;1-13(2,3)10-5-6-11-9(8-10)4-7-12(11)14;1-12(2,3)10-5-6-11-9(7-10)8-13-14(11)4;1-12(2,3)10-6-5-9-8-13-14(4)11(9)7-10;1-8-13-10-7-9(12(2,3)4)5-6-11(10)14-8;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-11(2,3)9-5-4-8-7-12-13-10(8)6-9;1-9(13)12-7-5-10(6-8-12)11(2,3)4;1-10(2,3)7-9-5-4-6-11-8-9;1-8(2,3)4-7-5-9-6-10-7;1-8(2,3)6-10-5-4-9-7-10/h7-8,10H,1,5-6,9H2,2-4H3;4-10H,1-3H3;2*5-9H,1-4H3;4-9H,1-3H3;5-6,8H,1,7H2,2-4H3;5-6,8H,4,7H2,1-3H3;2*5-8H,1-4H3;5-7,13H,1H2,2-4H3;4-8,13H,1-3H3;4-7H,1-3H3,(H,12,13);10H,5-8H2,1-4H3;4-6,8H,7H2,1-3H3;5-6H,4H2,1-3H3,(H,9,10);4-5,7H,6H2,1-3H3
InChIKeyHENGBGBEFRFXCZ-UHFFFAOYSA-N
MW2843.26 g/mol
LogP49.41
Rot. Bonds3

About 5-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;6-tert-butyl-2-methylidene-3H-1-benzofuran;5-tert-butyl-2-methylidene-3H-1,3-benzoxazole;7-tert-butyl-3-methylidene-2,4-dihydro-1H-naphthalene;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;2-tert-butylnaphthalene;1-(4-tert-butylpiperidin-1-yl)ethanone;7-tert-butylquinoline;1-(2,2-dimethylpropyl)imidazole;5-(2,2-dimethylpropyl)-1H-imidazole;3-(2,2-dimethylpropyl)pyridine

5-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;6-tert-butyl-2-methylidene-3H-1-benzofuran;5-tert-butyl-2-methylidene-3H-1,3-benzoxazole;7-tert-butyl-3-methylidene-2,4-dihydro-1H-naphthalene;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;2-tert-butylnaphthalene;1-(4-tert-butylpiperidin-1-yl)ethanone;7-tert-butylquinoline;1-(2,2-dimethylpropyl)imidazole;5-(2,2-dimethylpropyl)-1H-imidazole;3-(2,2-dimethylpropyl)pyridine (PubChem CID 158455532) has the molecular formula C190H257N17O4 and a molecular weight of 2843.26 g/mol. Its IUPAC name is 5-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;6-tert-butyl-2-methylidene-3H-1-benzofuran;5-tert-butyl-2-methylidene-3H-1,3-benzoxazole;7-tert-butyl-3-methylidene-2,4-dihydro-1H-naphthalene;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;2-tert-butylnaphthalene;1-(4-tert-butylpiperidin-1-yl)ethanone;7-tert-butylquinoline;1-(2,2-dimethylpropyl)imidazole;5-(2,2-dimethylpropyl)-1H-imidazole;3-(2,2-dimethylpropyl)pyridine.

Molecular Properties

Compound Name5-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;6-tert-butyl-2-methylidene-3H-1-benzofuran;5-tert-butyl-2-methylidene-3H-1,3-benzoxazole;7-tert-butyl-3-methylidene-2,4-dihydro-1H-naphthalene;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;2-tert-butylnaphthalene;1-(4-tert-butylpiperidin-1-yl)ethanone;7-tert-butylquinoline;1-(2,2-dimethylpropyl)imidazole;5-(2,2-dimethylpropyl)-1H-imidazole;3-(2,2-dimethylpropyl)pyridine
PubChem CID158455532
Molecular FormulaC190H257N17O4
Molecular Weight2843.26 g/mol
Exact Mass2841.04
IUPAC Name5-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;6-tert-butyl-2-methylidene-3H-1-benzofuran;5-tert-butyl-2-methylidene-3H-1,3-benzoxazole;7-tert-butyl-3-methylidene-2,4-dihydro-1H-naphthalene;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;2-tert-butylnaphthalene;1-(4-tert-butylpiperidin-1-yl)ethanone;7-tert-butylquinoline;1-(2,2-dimethylpropyl)imidazole;5-(2,2-dimethylpropyl)-1H-imidazole;3-(2,2-dimethylpropyl)pyridine
SMILESC=C1CCc2cc(C(C)(C)C)ccc2C1.C=C1Cc2ccc(C(C)(C)C)cc2O1.C=C1Nc2cc(C(C)(C)C)ccc2O1.CC(=O)N1CCC(C(C)(C)C)CC1.CC(C)(C)Cc1cccnc1.CC(C)(C)Cc1cnc[nH]1.CC(C)(C)Cn1ccnc1.CC(C)(C)c1ccc2c(c1)CCC2=O.CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1ccc2cccnc2c1.CC(C)(C)c1ccc2cn[nH]c2c1.Cn1ccc2cc(C(C)(C)C)ccc21.Cn1ccc2ccc(C(C)(C)C)cc21.Cn1ncc2cc(C(C)(C)C)ccc21.Cn1ncc2ccc(C(C)(C)C)cc21
InChIInChI=1S/C15H20.C14H16.2C13H17N.C13H15N.2C13H16O.2C12H16N2.C12H15NO.C12H15N.C11H14N2.C11H21NO.C10H15N.2C8H14N2/c1-11-5-6-13-10-14(15(2,3)4)8-7-12(13)9-11;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-5-6-12-10(9-11)7-8-14(12)4;1-13(2,3)11-6-5-10-7-8-14(4)12(10)9-11;1-13(2,3)11-7-6-10-5-4-8-14-12(10)9-11;1-9-7-10-5-6-11(13(2,3)4)8-12(10)14-9;1-13(2,3)10-5-6-11-9(8-10)4-7-12(11)14;1-12(2,3)10-5-6-11-9(7-10)8-13-14(11)4;1-12(2,3)10-6-5-9-8-13-14(4)11(9)7-10;1-8-13-10-7-9(12(2,3)4)5-6-11(10)14-8;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-11(2,3)9-5-4-8-7-12-13-10(8)6-9;1-9(13)12-7-5-10(6-8-12)11(2,3)4;1-10(2,3)7-9-5-4-6-11-8-9;1-8(2,3)4-7-5-9-6-10-7;1-8(2,3)6-10-5-4-9-7-10/h7-8,10H,1,5-6,9H2,2-4H3;4-10H,1-3H3;2*5-9H,1-4H3;4-9H,1-3H3;5-6,8H,1,7H2,2-4H3;5-6,8H,4,7H2,1-3H3;2*5-8H,1-4H3;5-7,13H,1H2,2-4H3;4-8,13H,1-3H3;4-7H,1-3H3,(H,12,13);10H,5-8H2,1-4H3;4-6,8H,7H2,1-3H3;5-6H,4H2,1-3H3,(H,9,10);4-5,7H,6H2,1-3H3
InChIKeyHENGBGBEFRFXCZ-UHFFFAOYSA-N
XLogP49.41
TPSA230.12 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds3
Heavy Atoms211
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002843.26
LogP ≤ 549.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;6-tert-butyl-2-methylidene-3H-1-benzofuran;5-tert-butyl-2-methylidene-3H-1,3-benzoxazole;7-tert-butyl-3-methylidene-2,4-dihydro-1H-naphthalene;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;2-tert-butylnaphthalene;1-(4-tert-butylpiperidin-1-yl)ethanone;7-tert-butylquinoline;1-(2,2-dimethylpropyl)imidazole;5-(2,2-dimethylpropyl)-1H-imidazole;3-(2,2-dimethylpropyl)pyridine 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

5-[3,3-dimethyl-2-oxo-1-(1H-pyrazol-4-yl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[1-(1H-imidazol-2-yl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;2-methyl-N-(4-methylphenyl)-5-(2-oxo-3-pyrimidin-2-yl-1,3-benzoxazol-7-yl)benzamide
CID 157115946
1-benzyl-5-methyl-3-propan-2-ylpyrazole;5-tert-butyl-2,3-dihydro-1-benzofuran;1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine;6-tert-butyl-1,3,3-trimethylindol-2-one;1-(3,3-dimethylbut-1-en-2-yl)-4-methoxybenzene;4-[(E)-3,3-dimethylbut-1-enyl]pyridine;N,N-dimethyl-4-propan-2-ylaniline;1-isoquinolin-1-yl-3-methylbutan-2-one;1-methyl-4-[(E)-3-methylbut-1-enyl]pyrazole;methyl 1-methyl-2-propan-2-ylindole-6-carboxylate;2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide;2-propan-2-yloxyethylbenzene;2-(propan-2-yloxymethyl)pyridine
CID 157758313
CID 157864560
CID 157864560
6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;6-tert-butyl-2-methylidene-3H-1-benzofuran;7-tert-butyl-3-methylidene-2,4-dihydro-1H-naphthalene;7-tert-butyl-2-methylidene-1,4-dihydroquinolin-3-one;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;methane;(2R)-1,1,1-trifluoro-2,3,3-trimethylbutane
CID 157938251
5-[3-(2,3-difluorophenyl)-2-oxo-1,3-benzoxazol-7-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3,3-dimethyl-2-oxo-1-(1H-pyrazol-4-yl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyrimidin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide
CID 158237162
1,5-di(propan-2-yl)benzotriazole;2-fluoro-4-propan-2-ylpyridine;3-fluoro-4-propan-2-ylpyridine;2-methoxy-3-propan-2-ylpyridine;2-methoxy-4-propan-2-ylpyridine;3-methoxy-4-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-yl-1H-pyridin-2-one;5-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;4-propan-2-yl-2H-triazole;1-propan-2-yl-2-(trifluoromethyl)benzene
CID 158433120
4-cyclopropyl-N-[5-(2-ethyl-1-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-cyclopropyl-N-[5-[4-(5-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)phenyl]-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;bis(4-cyclopropyl-N-[5-[4-(1H-imidazol-2-yl)phenyl]-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine);4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2-difluoropropyl)benzamide;1-[6-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;N-ethyl-4-[1-methyl-5-[(4-prop-1-en-2-yl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide;2-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;4-[1-methyl-5-[(4-prop-1-en-2-yl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide
CID 159381408
tert-butyl 5-tert-butylindazole-1-carboxylate;tert-butyl N-[3-(4-tert-butylphenoxy)propyl]carbamate;6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;5-tert-butyl-1H-indazole;5-tert-butyl-1-methylindazole;1-[3-(3-tert-butylphenoxy)propyl]imidazole;4-(4-tert-butylphenyl)morpholine;1-tert-butyl-3-(trifluoromethoxy)benzene
CID 160733895
tert-butyl 5-tert-butylindazole-1-carboxylate;tert-butyl N-[3-(4-tert-butylphenoxy)propyl]carbamate;6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;5-tert-butyl-1H-indazole;5-tert-butyl-1-methylindazole;1-[3-(3-tert-butylphenoxy)propyl]imidazole;4-[3-(3-tert-butylphenoxy)propyl]morpholine;4-(4-tert-butylphenyl)morpholine;1-(3-tert-butylpiperidin-1-yl)ethanone;1-tert-butyl-3-(trifluoromethoxy)benzene
CID 161857485
1-[7-[[(3S)-4-[4-[[6-cyclopropyl-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-(oxan-4-yloxy)quinazolin-8-yl]oxymethyl]benzoyl]-3-methylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione
CID 170735849
(2S)-1-[(2S)-2-[4-[4-[[6-cyclopropyl-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-[(2S)-2-methoxypropoxy]quinazolin-8-yl]oxymethyl]phenyl]triazol-1-yl]-3-methylbutanoyl]-N-[(1R)-2-hydroxy-1-[4-methyl-4-(2-methyl-3-pyridinyl)cyclohexa-1,5-dien-1-yl]ethyl]pyrrolidine-2-carboxamide
CID 170955225
(2S)-1-[(2S)-2-[4-[4-[[6-cyclopropyl-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-(2-methoxyethoxy)quinazolin-8-yl]oxymethyl]phenyl]triazol-1-yl]-3-methylbutanoyl]-N-[(1R)-2-hydroxy-1-[4-(3-methyl-4-pyridinyl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 170955718

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;6-tert-butyl-2-methylidene-3H-1-benzofuran;5-tert-butyl-2-methylidene-3H-1,3-benzoxazole;7-tert-butyl-3-methylidene-2,4-dihydro-1H-naphthalene;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;2-tert-butylnaphthalene;1-(4-tert-butylpiperidin-1-yl)ethanone;7-tert-butylquinoline;1-(2,2-dimethylpropyl)imidazole;5-(2,2-dimethylpropyl)-1H-imidazole;3-(2,2-dimethylpropyl)pyridine?
The IUPAC name of 5-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;6-tert-butyl-2-methylidene-3H-1-benzofuran;5-tert-butyl-2-methylidene-3H-1,3-benzoxazole;7-tert-butyl-3-methylidene-2,4-dihydro-1H-naphthalene;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;2-tert-butylnaphthalene;1-(4-tert-butylpiperidin-1-yl)ethanone;7-tert-butylquinoline;1-(2,2-dimethylpropyl)imidazole;5-(2,2-dimethylpropyl)-1H-imidazole;3-(2,2-dimethylpropyl)pyridine (CID 158455532) is 5-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;6-tert-butyl-2-methylidene-3H-1-benzofuran;5-tert-butyl-2-methylidene-3H-1,3-benzoxazole;7-tert-butyl-3-methylidene-2,4-dihydro-1H-naphthalene;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;2-tert-butylnaphthalene;1-(4-tert-butylpiperidin-1-yl)ethanone;7-tert-butylquinoline;1-(2,2-dimethylpropyl)imidazole;5-(2,2-dimethylpropyl)-1H-imidazole;3-(2,2-dimethylpropyl)pyridine.
What is the SMILES notation for 5-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;6-tert-butyl-2-methylidene-3H-1-benzofuran;5-tert-butyl-2-methylidene-3H-1,3-benzoxazole;7-tert-butyl-3-methylidene-2,4-dihydro-1H-naphthalene;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;2-tert-butylnaphthalene;1-(4-tert-butylpiperidin-1-yl)ethanone;7-tert-butylquinoline;1-(2,2-dimethylpropyl)imidazole;5-(2,2-dimethylpropyl)-1H-imidazole;3-(2,2-dimethylpropyl)pyridine?
The canonical SMILES for 5-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;6-tert-butyl-2-methylidene-3H-1-benzofuran;5-tert-butyl-2-methylidene-3H-1,3-benzoxazole;7-tert-butyl-3-methylidene-2,4-dihydro-1H-naphthalene;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;2-tert-butylnaphthalene;1-(4-tert-butylpiperidin-1-yl)ethanone;7-tert-butylquinoline;1-(2,2-dimethylpropyl)imidazole;5-(2,2-dimethylpropyl)-1H-imidazole;3-(2,2-dimethylpropyl)pyridine is C=C1CCc2cc(C(C)(C)C)ccc2C1.C=C1Cc2ccc(C(C)(C)C)cc2O1.C=C1Nc2cc(C(C)(C)C)ccc2O1.CC(=O)N1CCC(C(C)(C)C)CC1.CC(C)(C)Cc1cccnc1.CC(C)(C)Cc1cnc[nH]1.CC(C)(C)Cn1ccnc1.CC(C)(C)c1ccc2c(c1)CCC2=O.CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1ccc2cccnc2c1.CC(C)(C)c1ccc2cn[nH]c2c1.Cn1ccc2cc(C(C)(C)C)ccc21.Cn1ccc2ccc(C(C)(C)C)cc21.Cn1ncc2cc(C(C)(C)C)ccc21.Cn1ncc2ccc(C(C)(C)C)cc21.
What is the InChIKey of 5-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;6-tert-butyl-2-methylidene-3H-1-benzofuran;5-tert-butyl-2-methylidene-3H-1,3-benzoxazole;7-tert-butyl-3-methylidene-2,4-dihydro-1H-naphthalene;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;2-tert-butylnaphthalene;1-(4-tert-butylpiperidin-1-yl)ethanone;7-tert-butylquinoline;1-(2,2-dimethylpropyl)imidazole;5-(2,2-dimethylpropyl)-1H-imidazole;3-(2,2-dimethylpropyl)pyridine?
The InChIKey is HENGBGBEFRFXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20.C14H16.2C13H17N.C13H15N.2C13H16O.2C12H16N2.C12H15NO.C12H15N.C11H14N2.C11H21NO.C10H15N.2C8H14N2/c1-11-5-6-13-10-14(15(2,3)4)8-7-12(13)9-11;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-5-6-12-10(9-11)7-8-14(12)4;1-13(2,3)11-6-5-10-7-8-14(4)12(10)9-11;1-13(2,3)11-7-6-10-5-4-8-14-12(10)9-11;1-9-7-10-5-6-11(13(2,3)4)8-12(10)14-9;1-13(2,3)10-5-6-11-9(8-10)4-7-12(11)14;1-12(2,3)10-5-6-11-9(7-10)8-13-14(11)4;1-12(2,3)10-6-5-9-8-13-14(4)11(9)7-10;1-8-13-10-7-9(12(2,3)4)5-6-11(10)14-8;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-11(2,3)9-5-4-8-7-12-13-10(8)6-9;1-9(13)12-7-5-10(6-8-12)11(2,3)4;1-10(2,3)7-9-5-4-6-11-8-9;1-8(2,3)4-7-5-9-6-10-7;1-8(2,3)6-10-5-4-9-7-10/h7-8,10H,1,5-6,9H2,2-4H3;4-10H,1-3H3;2*5-9H,1-4H3;4-9H,1-3H3;5-6,8H,1,7H2,2-4H3;5-6,8H,4,7H2,1-3H3;2*5-8H,1-4H3;5-7,13H,1H2,2-4H3;4-8,13H,1-3H3;4-7H,1-3H3,(H,12,13);10H,5-8H2,1-4H3;4-6,8H,7H2,1-3H3;5-6H,4H2,1-3H3,(H,9,10);4-5,7H,6H2,1-3H3.
What are the key properties of 5-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;6-tert-butyl-2-methylidene-3H-1-benzofuran;5-tert-butyl-2-methylidene-3H-1,3-benzoxazole;7-tert-butyl-3-methylidene-2,4-dihydro-1H-naphthalene;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;2-tert-butylnaphthalene;1-(4-tert-butylpiperidin-1-yl)ethanone;7-tert-butylquinoline;1-(2,2-dimethylpropyl)imidazole;5-(2,2-dimethylpropyl)-1H-imidazole;3-(2,2-dimethylpropyl)pyridine?
5-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;6-tert-butyl-2-methylidene-3H-1-benzofuran;5-tert-butyl-2-methylidene-3H-1,3-benzoxazole;7-tert-butyl-3-methylidene-2,4-dihydro-1H-naphthalene;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;2-tert-butylnaphthalene;1-(4-tert-butylpiperidin-1-yl)ethanone;7-tert-butylquinoline;1-(2,2-dimethylpropyl)imidazole;5-(2,2-dimethylpropyl)-1H-imidazole;3-(2,2-dimethylpropyl)pyridine has a molecular weight of 2843.26 g/mol, XLogP of 49.41, 3 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;6-tert-butyl-2-methylidene-3H-1-benzofuran;5-tert-butyl-2-methylidene-3H-1,3-benzoxazole;7-tert-butyl-3-methylidene-2,4-dihydro-1H-naphthalene;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;2-tert-butylnaphthalene;1-(4-tert-butylpiperidin-1-yl)ethanone;7-tert-butylquinoline;1-(2,2-dimethylpropyl)imidazole;5-(2,2-dimethylpropyl)-1H-imidazole;3-(2,2-dimethylpropyl)pyridine is sourced from PubChem (CID 158455532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).