5-(4-tert-butylcyclohexyl)-2-propan-2-yl-1H-imidazole;5-(7-tert-butyl-2,3-dihydro-1H-inden-4-yl)-2-propan-2-yl-1H-imidazole;2-tert-butyl-6-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-tert-butyl-7-(2-propan-2-yl-1H-imidazol-5-yl)-1,2-benzoxazole;7-tert-butyl-4-(2-propan-2-yl-1H-imidazol-5-yl)-1,3-benzoxazole;1-tert-butyl-4-(2-propan-2-yl-1H-imidazol-5-yl)piperidine;5-(4-tert-butyl-5,6,7,8-tetrahydronaphthalen-1-yl)-2-propan-2-yl-1H-imidazole;4-(5-tert-butylthiophen-2-yl)-2-propan-2-yl-3H-pyrrole

C132H191N19O2S — CID 159047190

IUPAC5-(4-tert-butylcyclohexyl)-2-propan-2-yl-1H-imidazole;5-(7-tert-butyl-2,3-dihydro-1H-inden-4-yl)-2-propan-2-yl-1H-imidazole;2-tert-butyl-6-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-tert-butyl-7-(2-propan-2-yl-1H-imidazol-5-yl)-1,2-benzoxazole;7-tert-butyl-4-(2-propan-2-yl-1H-imidazol-5-yl)-1,3-benzoxazole;1-tert-butyl-4-(2-propan-2-yl-1H-imidazol-5-yl)piperidine;5-(4-tert-butyl-5,6,7,8-tetrahydronaphthalen-1-yl)-2-propan-2-yl-1H-imidazole;4-(5-tert-butylthiophen-2-yl)-2-propan-2-yl-3H-pyrrole
SMILESCC(C)C1=NC=C(c2ccc(C(C)(C)C)s2)C1.CC(C)c1cnc2nc(C(C)(C)C)[nH]c2c1.CC(C)c1ncc(-c2ccc(C(C)(C)C)c3c2CCC3)[nH]1.CC(C)c1ncc(-c2ccc(C(C)(C)C)c3c2CCCC3)[nH]1.CC(C)c1ncc(-c2ccc(C(C)(C)C)c3cnoc23)[nH]1.CC(C)c1ncc(-c2ccc(C(C)(C)C)c3ocnc23)[nH]1.CC(C)c1ncc(C2CCC(C(C)(C)C)CC2)[nH]1.CC(C)c1ncc(C2CCN(C(C)(C)C)CC2)[nH]1
InChIInChI=1S/C20H28N2.C19H26N2.2C17H21N3O.C16H28N2.C15H27N3.C15H21NS.C13H19N3/c1-13(2)19-21-12-18(22-19)16-10-11-17(20(3,4)5)15-9-7-6-8-14(15)16;1-12(2)18-20-11-17(21-18)15-9-10-16(19(3,4)5)14-8-6-7-13(14)15;1-10(2)16-18-9-14(20-16)11-6-7-13(17(3,4)5)12-8-19-21-15(11)12;1-10(2)16-18-8-13(20-16)11-6-7-12(17(3,4)5)15-14(11)19-9-21-15;1-11(2)15-17-10-14(18-15)12-6-8-13(9-7-12)16(3,4)5;1-11(2)14-16-10-13(17-14)12-6-8-18(9-7-12)15(3,4)5;1-10(2)12-8-11(9-16-12)13-6-7-14(17-13)15(3,4)5;1-8(2)9-6-10-11(14-7-9)16-12(15-10)13(3,4)5/h10-13H,6-9H2,1-5H3,(H,21,22);9-12H,6-8H2,1-5H3,(H,20,21);2*6-10H,1-5H3,(H,18,20);10-13H,6-9H2,1-5H3,(H,17,18);10-12H,6-9H2,1-5H3,(H,16,17);6-7,9-10H,8H2,1-5H3;6-8H,1-5H3,(H,14,15,16)
InChIKeyJWUOABFMGLWTPP-UHFFFAOYSA-N
MW2108.18 g/mol
LogP36.27
Rot. Bonds15

About 5-(4-tert-butylcyclohexyl)-2-propan-2-yl-1H-imidazole;5-(7-tert-butyl-2,3-dihydro-1H-inden-4-yl)-2-propan-2-yl-1H-imidazole;2-tert-butyl-6-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-tert-butyl-7-(2-propan-2-yl-1H-imidazol-5-yl)-1,2-benzoxazole;7-tert-butyl-4-(2-propan-2-yl-1H-imidazol-5-yl)-1,3-benzoxazole;1-tert-butyl-4-(2-propan-2-yl-1H-imidazol-5-yl)piperidine;5-(4-tert-butyl-5,6,7,8-tetrahydronaphthalen-1-yl)-2-propan-2-yl-1H-imidazole;4-(5-tert-butylthiophen-2-yl)-2-propan-2-yl-3H-pyrrole

5-(4-tert-butylcyclohexyl)-2-propan-2-yl-1H-imidazole;5-(7-tert-butyl-2,3-dihydro-1H-inden-4-yl)-2-propan-2-yl-1H-imidazole;2-tert-butyl-6-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-tert-butyl-7-(2-propan-2-yl-1H-imidazol-5-yl)-1,2-benzoxazole;7-tert-butyl-4-(2-propan-2-yl-1H-imidazol-5-yl)-1,3-benzoxazole;1-tert-butyl-4-(2-propan-2-yl-1H-imidazol-5-yl)piperidine;5-(4-tert-butyl-5,6,7,8-tetrahydronaphthalen-1-yl)-2-propan-2-yl-1H-imidazole;4-(5-tert-butylthiophen-2-yl)-2-propan-2-yl-3H-pyrrole (PubChem CID 159047190) has the molecular formula C132H191N19O2S and a molecular weight of 2108.18 g/mol. Its IUPAC name is 5-(4-tert-butylcyclohexyl)-2-propan-2-yl-1H-imidazole;5-(7-tert-butyl-2,3-dihydro-1H-inden-4-yl)-2-propan-2-yl-1H-imidazole;2-tert-butyl-6-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-tert-butyl-7-(2-propan-2-yl-1H-imidazol-5-yl)-1,2-benzoxazole;7-tert-butyl-4-(2-propan-2-yl-1H-imidazol-5-yl)-1,3-benzoxazole;1-tert-butyl-4-(2-propan-2-yl-1H-imidazol-5-yl)piperidine;5-(4-tert-butyl-5,6,7,8-tetrahydronaphthalen-1-yl)-2-propan-2-yl-1H-imidazole;4-(5-tert-butylthiophen-2-yl)-2-propan-2-yl-3H-pyrrole.

Molecular Properties

Compound Name5-(4-tert-butylcyclohexyl)-2-propan-2-yl-1H-imidazole;5-(7-tert-butyl-2,3-dihydro-1H-inden-4-yl)-2-propan-2-yl-1H-imidazole;2-tert-butyl-6-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-tert-butyl-7-(2-propan-2-yl-1H-imidazol-5-yl)-1,2-benzoxazole;7-tert-butyl-4-(2-propan-2-yl-1H-imidazol-5-yl)-1,3-benzoxazole;1-tert-butyl-4-(2-propan-2-yl-1H-imidazol-5-yl)piperidine;5-(4-tert-butyl-5,6,7,8-tetrahydronaphthalen-1-yl)-2-propan-2-yl-1H-imidazole;4-(5-tert-butylthiophen-2-yl)-2-propan-2-yl-3H-pyrrole
PubChem CID159047190
Molecular FormulaC132H191N19O2S
Molecular Weight2108.18 g/mol
Exact Mass2106.51
IUPAC Name5-(4-tert-butylcyclohexyl)-2-propan-2-yl-1H-imidazole;5-(7-tert-butyl-2,3-dihydro-1H-inden-4-yl)-2-propan-2-yl-1H-imidazole;2-tert-butyl-6-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-tert-butyl-7-(2-propan-2-yl-1H-imidazol-5-yl)-1,2-benzoxazole;7-tert-butyl-4-(2-propan-2-yl-1H-imidazol-5-yl)-1,3-benzoxazole;1-tert-butyl-4-(2-propan-2-yl-1H-imidazol-5-yl)piperidine;5-(4-tert-butyl-5,6,7,8-tetrahydronaphthalen-1-yl)-2-propan-2-yl-1H-imidazole;4-(5-tert-butylthiophen-2-yl)-2-propan-2-yl-3H-pyrrole
SMILESCC(C)C1=NC=C(c2ccc(C(C)(C)C)s2)C1.CC(C)c1cnc2nc(C(C)(C)C)[nH]c2c1.CC(C)c1ncc(-c2ccc(C(C)(C)C)c3c2CCC3)[nH]1.CC(C)c1ncc(-c2ccc(C(C)(C)C)c3c2CCCC3)[nH]1.CC(C)c1ncc(-c2ccc(C(C)(C)C)c3cnoc23)[nH]1.CC(C)c1ncc(-c2ccc(C(C)(C)C)c3ocnc23)[nH]1.CC(C)c1ncc(C2CCC(C(C)(C)C)CC2)[nH]1.CC(C)c1ncc(C2CCN(C(C)(C)C)CC2)[nH]1
InChIInChI=1S/C20H28N2.C19H26N2.2C17H21N3O.C16H28N2.C15H27N3.C15H21NS.C13H19N3/c1-13(2)19-21-12-18(22-19)16-10-11-17(20(3,4)5)15-9-7-6-8-14(15)16;1-12(2)18-20-11-17(21-18)15-9-10-16(19(3,4)5)14-8-6-7-13(14)15;1-10(2)16-18-9-14(20-16)11-6-7-13(17(3,4)5)12-8-19-21-15(11)12;1-10(2)16-18-8-13(20-16)11-6-7-12(17(3,4)5)15-14(11)19-9-21-15;1-11(2)15-17-10-14(18-15)12-6-8-13(9-7-12)16(3,4)5;1-11(2)14-16-10-13(17-14)12-6-8-18(9-7-12)15(3,4)5;1-10(2)12-8-11(9-16-12)13-6-7-14(17-13)15(3,4)5;1-8(2)9-6-10-11(14-7-9)16-12(15-10)13(3,4)5/h10-13H,6-9H2,1-5H3,(H,21,22);9-12H,6-8H2,1-5H3,(H,20,21);2*6-10H,1-5H3,(H,18,20);10-13H,6-9H2,1-5H3,(H,17,18);10-12H,6-9H2,1-5H3,(H,16,17);6-7,9-10H,8H2,1-5H3;6-8H,1-5H3,(H,14,15,16)
InChIKeyJWUOABFMGLWTPP-UHFFFAOYSA-N
XLogP36.27
TPSA281.31 Ų
H-Bond Donors7
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms154
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002108.18
LogP ≤ 536.27
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1015

Analyze 5-(4-tert-butylcyclohexyl)-2-propan-2-yl-1H-imidazole;5-(7-tert-butyl-2,3-dihydro-1H-inden-4-yl)-2-propan-2-yl-1H-imidazole;2-tert-butyl-6-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-tert-butyl-7-(2-propan-2-yl-1H-imidazol-5-yl)-1,2-benzoxazole;7-tert-butyl-4-(2-propan-2-yl-1H-imidazol-5-yl)-1,3-benzoxazole;1-tert-butyl-4-(2-propan-2-yl-1H-imidazol-5-yl)piperidine;5-(4-tert-butyl-5,6,7,8-tetrahydronaphthalen-1-yl)-2-propan-2-yl-1H-imidazole;4-(5-tert-butylthiophen-2-yl)-2-propan-2-yl-3H-pyrrole with MolForge

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Related Compounds

N,N-dimethyl-6-propan-2-yl-1H-benzimidazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzothiazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,2-benzoxazol-3-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzoxazol-2-amine;2-ethyl-6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;N-methyl-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine;1-methyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline;6-propan-2-yl-1,2-benzoxazol-3-amine;2-propan-2-yl-4,5,6,7-tetrahydrofuro[3,2-c]pyridine;3-propan-2-yl-5,6,7,8-tetrahydro-1,7-naphthyridine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;2-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;2-propan-2-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 160863111
2-[5-(1,3-benzothiazol-2-yl)-3-(1,2-benzoxazol-3-yl)-6-(1H-imidazol-2-yl)-1-quinolin-2-ylisoquinolin-4-yl]-1,3-benzoxazole
CID 141050975
2-[6-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-(1H-inden-1-yl)-1-(1,2-oxazol-3-yl)-7-(1H-pyrrol-2-yl)-5-thiophen-2-yl-9H-carbazol-2-yl]-1,3-oxazole
CID 141155828
2-[4-(1-benzofuran-2-yl)-2-(1,3-benzothiazol-2-yl)-3-(1-benzothiophen-2-yl)-2-(1H-imidazol-2-yl)-5-(1,8-naphthyridin-2-yl)-1-(1,2-oxazol-3-yl)-6-quinoxalin-2-yl-3H-indol-7-yl]-1,3-oxazole
CID 141422699
7-tert-butyl-4-(2-tert-butyl-1H-imidazol-5-yl)-1,3-benzoxazole;7-[2-(2-methylbutan-2-yl)-1H-imidazol-5-yl]-4-propan-2-yl-1,2-benzoxazole;molecular hydrogen
CID 144634459
2-[1-(1H-benzimidazol-2-yl)-4-(1-benzofuran-2-yl)-2,3-bis(1,3-benzothiazol-2-yl)-3-(1-benzothiophen-2-yl)-2-imidazo[1,5-a]pyridin-6-yl-5-(1,8-naphthyridin-2-yl)-6-quinoxalin-2-ylindol-7-yl]-1,3-benzoxazole
CID 153534557
3-tert-butylimidazo[1,2-a]pyridine;ethane;methane;4-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazole;7-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzothiophene;3-propan-2-yl-1,2-benzoxazole;7-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;3-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole
CID 157085230
benzene;3-tert-butyl-1,2-benzoxazole;4-tert-butyl-1,2-benzoxazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,2-benzoxazole;1-tert-butylimidazo[1,5-a]pyridine;5-tert-butyl-3H-pyrazolo[1,5-a]pyridin-8-ium;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;undecakis(2,2-dimethylpropane);1-(2,2-dimethylpropyl)indazole;furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;pyrazine;pyrazolo[1,5-a]pyridine;pyridazine;pyridine;1H-pyridin-2-one;pyrimidine;2H-pyrrole
CID 157369125
4,7-di(propan-2-yl)-1,3-benzodithiole;bis(4,7-di(propan-2-yl)-1,3-benzothiazole);4,7-di(propan-2-yl)-1-benzothiophene;bis(4,7-di(propan-2-yl)-1,2-benzoxazole);bis(4,7-di(propan-2-yl)-1,3-benzoxazole);4,7-di(propan-2-yl)-1,3-dihydro-2-benzothiophene;bis(4,7-di(propan-2-yl)-2,3-dihydro-1-benzothiophene);4,7-di(propan-2-yl)-2,3-dihydro-1H-indene;4,7-di(propan-2-yl)-1,3-dihydroinden-2-imine;bis(4,7-di(propan-2-yl)-2,3-dihydro-1H-indole);4,7-di(propan-2-yl)-2,3-dihydro-1H-isoindole;bis(4,7-di(propan-2-yl)-3H-indol-2-amine);4,7-di(propan-2-yl)-3H-isoindol-1-amine;1,4-di(propan-2-yl)isoquinoline;bis(1,4-di(propan-2-yl)-2,7-naphthyridine);5,8-di(propan-2-yl)pyrido[3,4-d]pyrimidine;5,8-di(propan-2-yl)pyrido[4,3-d]pyrimidine
CID 157721410
2-methyl-1H-benzimidazole;5-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;7-methyl-1,2-benzoxazole;5-methyl-2,3-dihydro-1-benzofuran;6-methyl-2,3-dihydro-1-benzofuran;5-methyl-1H-indene;bis(7-methyl-1H-indole);5-methyl-2-methylidene-3-azabicyclo[4.1.0]hept-4-ene;5-methyl-2-methylidene-1H-pyridine;2-methyl-1,3,4-oxadiazole;2-methylpyridine;3-methylpyridine;toluene
CID 157844995
1-cyclohexyl-4-propan-2-ylbenzene;3-methyl-1-(4-phenylphenyl)butan-1-one;N-phenyl-2-propan-2-ylaniline;phenyl-(5-propan-2-yl-1H-pyrrol-2-yl)methanone;phenyl-(5-propan-2-ylthiophen-2-yl)methanone;2-propan-2-yl-9H-carbazole;2-propan-2-ylnaphthalene;2-(4-propan-2-ylphenyl)-1,3-benzoxazole;2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine;2-(4-propan-2-ylphenyl)-3H-isoindol-1-one;1-propan-2-yl-4-prop-2-enoxybenzene
CID 157858408
methane;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;2-methylfuro[2,3-c]pyridin-7-amine;2-methylfuro[3,2-c]pyridin-4-amine;2-methyl-1H-imidazo[4,5-c]pyridin-4-amine;2-methyl-1H-indol-7-amine;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;7-methylquinazolin-4-amine;2-methylthieno[2,3-c]pyridin-7-amine;2-methylthieno[3,2-c]pyridin-4-amine
CID 158931275

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylcyclohexyl)-2-propan-2-yl-1H-imidazole;5-(7-tert-butyl-2,3-dihydro-1H-inden-4-yl)-2-propan-2-yl-1H-imidazole;2-tert-butyl-6-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-tert-butyl-7-(2-propan-2-yl-1H-imidazol-5-yl)-1,2-benzoxazole;7-tert-butyl-4-(2-propan-2-yl-1H-imidazol-5-yl)-1,3-benzoxazole;1-tert-butyl-4-(2-propan-2-yl-1H-imidazol-5-yl)piperidine;5-(4-tert-butyl-5,6,7,8-tetrahydronaphthalen-1-yl)-2-propan-2-yl-1H-imidazole;4-(5-tert-butylthiophen-2-yl)-2-propan-2-yl-3H-pyrrole?
The IUPAC name of 5-(4-tert-butylcyclohexyl)-2-propan-2-yl-1H-imidazole;5-(7-tert-butyl-2,3-dihydro-1H-inden-4-yl)-2-propan-2-yl-1H-imidazole;2-tert-butyl-6-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-tert-butyl-7-(2-propan-2-yl-1H-imidazol-5-yl)-1,2-benzoxazole;7-tert-butyl-4-(2-propan-2-yl-1H-imidazol-5-yl)-1,3-benzoxazole;1-tert-butyl-4-(2-propan-2-yl-1H-imidazol-5-yl)piperidine;5-(4-tert-butyl-5,6,7,8-tetrahydronaphthalen-1-yl)-2-propan-2-yl-1H-imidazole;4-(5-tert-butylthiophen-2-yl)-2-propan-2-yl-3H-pyrrole (CID 159047190) is 5-(4-tert-butylcyclohexyl)-2-propan-2-yl-1H-imidazole;5-(7-tert-butyl-2,3-dihydro-1H-inden-4-yl)-2-propan-2-yl-1H-imidazole;2-tert-butyl-6-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-tert-butyl-7-(2-propan-2-yl-1H-imidazol-5-yl)-1,2-benzoxazole;7-tert-butyl-4-(2-propan-2-yl-1H-imidazol-5-yl)-1,3-benzoxazole;1-tert-butyl-4-(2-propan-2-yl-1H-imidazol-5-yl)piperidine;5-(4-tert-butyl-5,6,7,8-tetrahydronaphthalen-1-yl)-2-propan-2-yl-1H-imidazole;4-(5-tert-butylthiophen-2-yl)-2-propan-2-yl-3H-pyrrole.
What is the SMILES notation for 5-(4-tert-butylcyclohexyl)-2-propan-2-yl-1H-imidazole;5-(7-tert-butyl-2,3-dihydro-1H-inden-4-yl)-2-propan-2-yl-1H-imidazole;2-tert-butyl-6-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-tert-butyl-7-(2-propan-2-yl-1H-imidazol-5-yl)-1,2-benzoxazole;7-tert-butyl-4-(2-propan-2-yl-1H-imidazol-5-yl)-1,3-benzoxazole;1-tert-butyl-4-(2-propan-2-yl-1H-imidazol-5-yl)piperidine;5-(4-tert-butyl-5,6,7,8-tetrahydronaphthalen-1-yl)-2-propan-2-yl-1H-imidazole;4-(5-tert-butylthiophen-2-yl)-2-propan-2-yl-3H-pyrrole?
The canonical SMILES for 5-(4-tert-butylcyclohexyl)-2-propan-2-yl-1H-imidazole;5-(7-tert-butyl-2,3-dihydro-1H-inden-4-yl)-2-propan-2-yl-1H-imidazole;2-tert-butyl-6-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-tert-butyl-7-(2-propan-2-yl-1H-imidazol-5-yl)-1,2-benzoxazole;7-tert-butyl-4-(2-propan-2-yl-1H-imidazol-5-yl)-1,3-benzoxazole;1-tert-butyl-4-(2-propan-2-yl-1H-imidazol-5-yl)piperidine;5-(4-tert-butyl-5,6,7,8-tetrahydronaphthalen-1-yl)-2-propan-2-yl-1H-imidazole;4-(5-tert-butylthiophen-2-yl)-2-propan-2-yl-3H-pyrrole is CC(C)C1=NC=C(c2ccc(C(C)(C)C)s2)C1.CC(C)c1cnc2nc(C(C)(C)C)[nH]c2c1.CC(C)c1ncc(-c2ccc(C(C)(C)C)c3c2CCC3)[nH]1.CC(C)c1ncc(-c2ccc(C(C)(C)C)c3c2CCCC3)[nH]1.CC(C)c1ncc(-c2ccc(C(C)(C)C)c3cnoc23)[nH]1.CC(C)c1ncc(-c2ccc(C(C)(C)C)c3ocnc23)[nH]1.CC(C)c1ncc(C2CCC(C(C)(C)C)CC2)[nH]1.CC(C)c1ncc(C2CCN(C(C)(C)C)CC2)[nH]1.
What is the InChIKey of 5-(4-tert-butylcyclohexyl)-2-propan-2-yl-1H-imidazole;5-(7-tert-butyl-2,3-dihydro-1H-inden-4-yl)-2-propan-2-yl-1H-imidazole;2-tert-butyl-6-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-tert-butyl-7-(2-propan-2-yl-1H-imidazol-5-yl)-1,2-benzoxazole;7-tert-butyl-4-(2-propan-2-yl-1H-imidazol-5-yl)-1,3-benzoxazole;1-tert-butyl-4-(2-propan-2-yl-1H-imidazol-5-yl)piperidine;5-(4-tert-butyl-5,6,7,8-tetrahydronaphthalen-1-yl)-2-propan-2-yl-1H-imidazole;4-(5-tert-butylthiophen-2-yl)-2-propan-2-yl-3H-pyrrole?
The InChIKey is JWUOABFMGLWTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2.C19H26N2.2C17H21N3O.C16H28N2.C15H27N3.C15H21NS.C13H19N3/c1-13(2)19-21-12-18(22-19)16-10-11-17(20(3,4)5)15-9-7-6-8-14(15)16;1-12(2)18-20-11-17(21-18)15-9-10-16(19(3,4)5)14-8-6-7-13(14)15;1-10(2)16-18-9-14(20-16)11-6-7-13(17(3,4)5)12-8-19-21-15(11)12;1-10(2)16-18-8-13(20-16)11-6-7-12(17(3,4)5)15-14(11)19-9-21-15;1-11(2)15-17-10-14(18-15)12-6-8-13(9-7-12)16(3,4)5;1-11(2)14-16-10-13(17-14)12-6-8-18(9-7-12)15(3,4)5;1-10(2)12-8-11(9-16-12)13-6-7-14(17-13)15(3,4)5;1-8(2)9-6-10-11(14-7-9)16-12(15-10)13(3,4)5/h10-13H,6-9H2,1-5H3,(H,21,22);9-12H,6-8H2,1-5H3,(H,20,21);2*6-10H,1-5H3,(H,18,20);10-13H,6-9H2,1-5H3,(H,17,18);10-12H,6-9H2,1-5H3,(H,16,17);6-7,9-10H,8H2,1-5H3;6-8H,1-5H3,(H,14,15,16).
What are the key properties of 5-(4-tert-butylcyclohexyl)-2-propan-2-yl-1H-imidazole;5-(7-tert-butyl-2,3-dihydro-1H-inden-4-yl)-2-propan-2-yl-1H-imidazole;2-tert-butyl-6-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-tert-butyl-7-(2-propan-2-yl-1H-imidazol-5-yl)-1,2-benzoxazole;7-tert-butyl-4-(2-propan-2-yl-1H-imidazol-5-yl)-1,3-benzoxazole;1-tert-butyl-4-(2-propan-2-yl-1H-imidazol-5-yl)piperidine;5-(4-tert-butyl-5,6,7,8-tetrahydronaphthalen-1-yl)-2-propan-2-yl-1H-imidazole;4-(5-tert-butylthiophen-2-yl)-2-propan-2-yl-3H-pyrrole?
5-(4-tert-butylcyclohexyl)-2-propan-2-yl-1H-imidazole;5-(7-tert-butyl-2,3-dihydro-1H-inden-4-yl)-2-propan-2-yl-1H-imidazole;2-tert-butyl-6-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-tert-butyl-7-(2-propan-2-yl-1H-imidazol-5-yl)-1,2-benzoxazole;7-tert-butyl-4-(2-propan-2-yl-1H-imidazol-5-yl)-1,3-benzoxazole;1-tert-butyl-4-(2-propan-2-yl-1H-imidazol-5-yl)piperidine;5-(4-tert-butyl-5,6,7,8-tetrahydronaphthalen-1-yl)-2-propan-2-yl-1H-imidazole;4-(5-tert-butylthiophen-2-yl)-2-propan-2-yl-3H-pyrrole has a molecular weight of 2108.18 g/mol, XLogP of 36.27, 15 rotatable bonds, 7 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylcyclohexyl)-2-propan-2-yl-1H-imidazole;5-(7-tert-butyl-2,3-dihydro-1H-inden-4-yl)-2-propan-2-yl-1H-imidazole;2-tert-butyl-6-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-tert-butyl-7-(2-propan-2-yl-1H-imidazol-5-yl)-1,2-benzoxazole;7-tert-butyl-4-(2-propan-2-yl-1H-imidazol-5-yl)-1,3-benzoxazole;1-tert-butyl-4-(2-propan-2-yl-1H-imidazol-5-yl)piperidine;5-(4-tert-butyl-5,6,7,8-tetrahydronaphthalen-1-yl)-2-propan-2-yl-1H-imidazole;4-(5-tert-butylthiophen-2-yl)-2-propan-2-yl-3H-pyrrole is sourced from PubChem (CID 159047190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).