bis(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)-1H-imidazole;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-ylpyridine;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;4-propan-2-yl-3H-pyrrole;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine

C192H268Cl2F10N18 — CID 158341275

IUPACbis(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)-1H-imidazole;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-ylpyridine;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;4-propan-2-yl-3H-pyrrole;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine
SMILESCC(C)C1=CC=CC1.CC(C)C1=CN=CC1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1cnc(C(C)C)[nH]1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1ncccn1.Cc1cc(C(F)(F)F)ccc1C(C)C.Cc1cc(Cl)ccc1C(C)C.Cc1cc(Cl)ccc1C(C)C.Cc1cc(F)ccc1C(C)C.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cn1.Cc1ccccc1C(C)C.Cc1ncc(C(C)C)[nH]1.Cc1ncc(C(C)C)n1C
InChIInChI=1S/C11H13F3.2C10H13Cl.C10H11F3.C10H13F.3C10H14.C9H10F3N.C9H16N2.C9H13N.C9H12.C8H14N2.3C8H11N.C8H12.C7H10N2.C7H12N2.2C7H10N2.C7H11N/c1-7(2)10-5-4-9(6-8(10)3)11(12,13)14;2*1-7(2)10-5-4-9(11)6-8(10)3;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-7(2)10-5-4-9(11)6-8(10)3;2*1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-7-5-4-6-9(10)3;1-6(2)7-3-4-8(13-5-7)9(10,11)12;1-6(2)8-5-10-9(11-8)7(3)4;1-7(2)9-5-4-8(3)10-6-9;1-8(2)9-6-4-3-5-7-9;1-6(2)8-5-9-7(3)10(8)4;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-7(2)8-5-3-4-6-8;1-6(2)7-3-8-5-9-4-7;1-5(2)7-4-8-6(3)9-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-3-4-8-5-7/h4-7H,1-3H3;2*4-7H,1-3H3;3-7H,1-2H3;4-7H,1-3H3;3*4-8H,1-3H3;3-6H,1-2H3;5-7H,1-4H3,(H,10,11);4-7H,1-3H3;3-8H,1-2H3;5-6H,1-4H3;3*3-7H,1-2H3;3-5,7H,6H2,1-2H3;3-6H,1-2H3;4-5H,1-3H3,(H,8,9);2*3-6H,1-2H3;4-6H,3H2,1-2H3
InChIKeyGREOUKMGZYTKMQ-UHFFFAOYSA-N
MW3089.27 g/mol
LogP58.96
Rot. Bonds23

About bis(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)-1H-imidazole;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-ylpyridine;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;4-propan-2-yl-3H-pyrrole;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine

bis(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)-1H-imidazole;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-ylpyridine;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;4-propan-2-yl-3H-pyrrole;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine (PubChem CID 158341275) has the molecular formula C192H268Cl2F10N18 and a molecular weight of 3089.27 g/mol. Its IUPAC name is bis(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)-1H-imidazole;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-ylpyridine;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;4-propan-2-yl-3H-pyrrole;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Namebis(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)-1H-imidazole;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-ylpyridine;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;4-propan-2-yl-3H-pyrrole;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine
PubChem CID158341275
Molecular FormulaC192H268Cl2F10N18
Molecular Weight3089.27 g/mol
Exact Mass3086.07
IUPAC Namebis(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)-1H-imidazole;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-ylpyridine;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;4-propan-2-yl-3H-pyrrole;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine
SMILESCC(C)C1=CC=CC1.CC(C)C1=CN=CC1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1cnc(C(C)C)[nH]1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1ncccn1.Cc1cc(C(F)(F)F)ccc1C(C)C.Cc1cc(Cl)ccc1C(C)C.Cc1cc(Cl)ccc1C(C)C.Cc1cc(F)ccc1C(C)C.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cn1.Cc1ccccc1C(C)C.Cc1ncc(C(C)C)[nH]1.Cc1ncc(C(C)C)n1C
InChIInChI=1S/C11H13F3.2C10H13Cl.C10H11F3.C10H13F.3C10H14.C9H10F3N.C9H16N2.C9H13N.C9H12.C8H14N2.3C8H11N.C8H12.C7H10N2.C7H12N2.2C7H10N2.C7H11N/c1-7(2)10-5-4-9(6-8(10)3)11(12,13)14;2*1-7(2)10-5-4-9(11)6-8(10)3;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-7(2)10-5-4-9(11)6-8(10)3;2*1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-7-5-4-6-9(10)3;1-6(2)7-3-4-8(13-5-7)9(10,11)12;1-6(2)8-5-10-9(11-8)7(3)4;1-7(2)9-5-4-8(3)10-6-9;1-8(2)9-6-4-3-5-7-9;1-6(2)8-5-9-7(3)10(8)4;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-7(2)8-5-3-4-6-8;1-6(2)7-3-8-5-9-4-7;1-5(2)7-4-8-6(3)9-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-3-4-8-5-7/h4-7H,1-3H3;2*4-7H,1-3H3;3-7H,1-2H3;4-7H,1-3H3;3*4-8H,1-3H3;3-6H,1-2H3;5-7H,1-4H3,(H,10,11);4-7H,1-3H3;3-8H,1-2H3;5-6H,1-4H3;3*3-7H,1-2H3;3-5,7H,6H2,1-2H3;3-6H,1-2H3;4-5H,1-3H3,(H,8,9);2*3-6H,1-2H3;4-6H,3H2,1-2H3
InChIKeyGREOUKMGZYTKMQ-UHFFFAOYSA-N
XLogP58.96
TPSA229.33 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds23
Heavy Atoms222
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003089.27
LogP ≤ 558.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Analyze bis(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)-1H-imidazole;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-ylpyridine;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;4-propan-2-yl-3H-pyrrole;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine with MolForge

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Related Compounds

N-[2-[[4-(2-chlorophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl]-[[4-(2-chlorophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]amino]amino]ethyl]-5-(trifluoromethyl)pyridin-2-amine
CID 87778217
N-[2-[[4-(4-chloro-2-methylphenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl]-[[4-(4-chloro-2-methylphenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]amino]amino]ethyl]-5-(trifluoromethyl)pyridin-2-amine
CID 87779061
N-[2-[[4-(2-chloro-4-fluorophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl]-[[4-(2-chloro-4-fluorophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]amino]amino]ethyl]-5-(trifluoromethyl)pyridin-2-amine
CID 87779746
N-[2-[[4-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]-[[4-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]amino]amino]ethyl]-5-(trifluoromethyl)pyridin-2-amine
CID 87779865
3-[2,4-bis(trifluoromethyl)phenyl]-6-(chloromethyl)pyridazine;5-[[6-[2,4-bis(trifluoromethyl)phenyl]pyridazin-3-yl]methyl]-2-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-5-ium;2-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridine
CID 91099381
3-bromo-6-(3-chlorophenyl)-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridin-8-amine;3-bromo-6-(3-chlorophenyl)-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyridin-8-amine;3-bromo-N-(pyridin-3-ylmethyl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-amine;3-bromo-N-(pyridin-3-ylmethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-amine;3-bromo-N-(pyridin-4-ylmethyl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-amine;3-bromo-N-(pyridin-4-ylmethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-amine
CID 157170083
bis(6-chloro-2-[(1S)-1-[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]propyl]-1H-benzimidazole);bis(6-chloro-2-[(1R)-1-[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]propyl]-1H-benzimidazole)
CID 157224700
5-[1-[4-(3,4-Dichlorophenyl)-6-methylpyridin-2-yl]imidazol-4-yl]pyridin-2-amine;5-[2-[6-methyl-4-[4-(trifluoromethyl)phenyl]pyridin-2-yl]pyrimidin-4-yl]pyridin-2-amine
CID 157409004
1-chloro-4-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[3,4-b]indole;1,9-dimethyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrido[3,4-b]indole;1-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[3,4-b]indole;9-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyrido[2,3-b]indole;3-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[2,3-b]indole;3-[(2S)-1-methylpyrrolidin-2-yl]-4-(trifluoromethyl)-9H-pyrido[2,3-b]indole
CID 157781785
2,10-Dichlorotetraphenylene;2-(1,3,4,9,10,11,12-heptapyridin-2-yltetraphenylen-2-yl)pyridine;1-phenyl-2-[10-(1-phenylindol-2-yl)tetraphenylen-2-yl]benzimidazole;2-(10-pyrimidin-2-yltetraphenylen-2-yl)pyrimidine;6,7,14,15-tetrachloro-1,2,3,4,9,10,11,12-octafluorotetraphenylene;2,6,10,14-tetrakis(trifluoromethyl)tetraphenylene;2-(2,3,10,11-tetraphenyl-4,9,12-tripyridin-2-yltetraphenylen-1-yl)pyridine;2-[1,3,4-tris(1,3,5-triazin-2-yl)tetraphenylen-2-yl]-1,3,5-triazine
CID 157834236
N-[(1S)-1-[1-[2-(azetidin-1-yl)ethyl]-8-chloroisoquinolin-3-yl]ethyl]-7H-purin-6-amine;N-[(1S)-1-[8-chloro-1-[2-(3,3-difluoroazetidin-1-yl)ethyl]isoquinolin-3-yl]ethyl]-7H-purin-6-amine;N-[(1S)-1-(8-chloro-1-pyridin-3-ylisoquinolin-3-yl)ethyl]-7H-purin-6-amine
CID 158086957
N-[(3-chlorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-[(3,4-difluorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-hexylpyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine
CID 158145853

Frequently Asked Questions

What is the IUPAC name of bis(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)-1H-imidazole;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-ylpyridine;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;4-propan-2-yl-3H-pyrrole;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine?
The IUPAC name of bis(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)-1H-imidazole;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-ylpyridine;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;4-propan-2-yl-3H-pyrrole;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine (CID 158341275) is bis(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)-1H-imidazole;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-ylpyridine;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;4-propan-2-yl-3H-pyrrole;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine.
What is the SMILES notation for bis(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)-1H-imidazole;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-ylpyridine;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;4-propan-2-yl-3H-pyrrole;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine?
The canonical SMILES for bis(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)-1H-imidazole;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-ylpyridine;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;4-propan-2-yl-3H-pyrrole;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine is CC(C)C1=CC=CC1.CC(C)C1=CN=CC1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1cnc(C(C)C)[nH]1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1ncccn1.Cc1cc(C(F)(F)F)ccc1C(C)C.Cc1cc(Cl)ccc1C(C)C.Cc1cc(Cl)ccc1C(C)C.Cc1cc(F)ccc1C(C)C.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cn1.Cc1ccccc1C(C)C.Cc1ncc(C(C)C)[nH]1.Cc1ncc(C(C)C)n1C.
What is the InChIKey of bis(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)-1H-imidazole;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-ylpyridine;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;4-propan-2-yl-3H-pyrrole;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine?
The InChIKey is GREOUKMGZYTKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3.2C10H13Cl.C10H11F3.C10H13F.3C10H14.C9H10F3N.C9H16N2.C9H13N.C9H12.C8H14N2.3C8H11N.C8H12.C7H10N2.C7H12N2.2C7H10N2.C7H11N/c1-7(2)10-5-4-9(6-8(10)3)11(12,13)14;2*1-7(2)10-5-4-9(11)6-8(10)3;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-7(2)10-5-4-9(11)6-8(10)3;2*1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-7-5-4-6-9(10)3;1-6(2)7-3-4-8(13-5-7)9(10,11)12;1-6(2)8-5-10-9(11-8)7(3)4;1-7(2)9-5-4-8(3)10-6-9;1-8(2)9-6-4-3-5-7-9;1-6(2)8-5-9-7(3)10(8)4;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-7(2)8-5-3-4-6-8;1-6(2)7-3-8-5-9-4-7;1-5(2)7-4-8-6(3)9-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-3-4-8-5-7/h4-7H,1-3H3;2*4-7H,1-3H3;3-7H,1-2H3;4-7H,1-3H3;3*4-8H,1-3H3;3-6H,1-2H3;5-7H,1-4H3,(H,10,11);4-7H,1-3H3;3-8H,1-2H3;5-6H,1-4H3;3*3-7H,1-2H3;3-5,7H,6H2,1-2H3;3-6H,1-2H3;4-5H,1-3H3,(H,8,9);2*3-6H,1-2H3;4-6H,3H2,1-2H3.
What are the key properties of bis(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)-1H-imidazole;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-ylpyridine;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;4-propan-2-yl-3H-pyrrole;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine?
bis(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)-1H-imidazole;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-ylpyridine;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;4-propan-2-yl-3H-pyrrole;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine has a molecular weight of 3089.27 g/mol, XLogP of 58.96, 23 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)-1H-imidazole;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-ylpyridine;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;4-propan-2-yl-3H-pyrrole;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 158341275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).