1-methyl-5-[4-[4-(3-methyl-2-propan-2-ylimidazol-4-yl)phenyl]phenyl]-2-propan-2-ylimidazole;N-methyl-1-propan-2-yl-N-(4-propan-2-ylcyclohexyl)piperidin-4-amine;(2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;1-propan-2-yl-4-[(1-propan-2-ylazetidin-3-yl)methyl]piperazine;N-propan-2-yl-N-[(1-propan-2-ylazetidin-3-yl)methyl]-3-propan-2-yloxycyclobutan-1-amine;N-propan-2-yl-N-[(4-propan-2-ylcyclohexyl)methyl]-3-propan-2-yloxycyclobutan-1-amine;1-propan-2-yl-4-(3-propan-2-ylcyclopentyl)piperazine;1-propan-2-yl-4-[(1-propan-2-ylpyrrolidin-3-yl)methoxy]piperidine;1-propan-2-yl-4-(2-propan-2-ylsulfanylethyl)piperazine

C155H288N22O4S — CID 159432974

IUPAC1-methyl-5-[4-[4-(3-methyl-2-propan-2-ylimidazol-4-yl)phenyl]phenyl]-2-propan-2-ylimidazole;N-methyl-1-propan-2-yl-N-(4-propan-2-ylcyclohexyl)piperidin-4-amine;(2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;1-propan-2-yl-4-[(1-propan-2-ylazetidin-3-yl)methyl]piperazine;N-propan-2-yl-N-[(1-propan-2-ylazetidin-3-yl)methyl]-3-propan-2-yloxycyclobutan-1-amine;N-propan-2-yl-N-[(4-propan-2-ylcyclohexyl)methyl]-3-propan-2-yloxycyclobutan-1-amine;1-propan-2-yl-4-(3-propan-2-ylcyclopentyl)piperazine;1-propan-2-yl-4-[(1-propan-2-ylpyrrolidin-3-yl)methoxy]piperidine;1-propan-2-yl-4-(2-propan-2-ylsulfanylethyl)piperazine
SMILESCC(C)C1CCC(N(C)C2CCN(C(C)C)CC2)CC1.CC(C)C1CCC(N2CCN(C(C)C)CC2)C1.CC(C)N1CCC(OCC2CCN(C(C)C)C2)CC1.CC(C)N1CCN(C(=O)N2CC3CN(C(C)C)CC3C2)CC1.CC(C)N1CCN(CC2CN(C(C)C)C2)CC1.CC(C)OC1CC(N(CC2CCC(C(C)C)CC2)C(C)C)C1.CC(C)OC1CC(N(CC2CN(C(C)C)C2)C(C)C)C1.CC(C)SCCN1CCN(C(C)C)CC1.CC(C)c1ncc(-c2ccc(-c3ccc(-c4cnc(C(C)C)n4C)cc3)cc2)n1C
InChIInChI=1S/C26H30N4.C20H39NO.C18H36N2.C17H32N4O.C17H34N2O.C16H32N2O.C15H30N2.C14H29N3.C12H26N2S/c1-17(2)25-27-15-23(29(25)5)21-11-7-19(8-12-21)20-9-13-22(14-10-20)24-16-28-26(18(3)4)30(24)6;1-14(2)18-9-7-17(8-10-18)13-21(15(3)4)19-11-20(12-19)22-16(5)6;1-14(2)16-6-8-17(9-7-16)19(5)18-10-12-20(13-11-18)15(3)4;1-13(2)18-5-7-19(8-6-18)17(22)21-11-15-9-20(14(3)4)10-16(15)12-21;1-12(2)18-9-15(10-18)11-19(13(3)4)16-7-17(8-16)20-14(5)6;1-13(2)17-9-6-16(7-10-17)19-12-15-5-8-18(11-15)14(3)4;1-12(2)14-5-6-15(11-14)17-9-7-16(8-10-17)13(3)4;1-12(2)16-7-5-15(6-8-16)9-14-10-17(11-14)13(3)4;1-11(2)14-7-5-13(6-8-14)9-10-15-12(3)4/h7-18H,1-6H3;14-20H,7-13H2,1-6H3;14-18H,6-13H2,1-5H3;13-16H,5-12H2,1-4H3;12-17H,7-11H2,1-6H3;13-16H,5-12H2,1-4H3;12-15H,5-11H2,1-4H3;12-14H,5-11H2,1-4H3;11-12H,5-10H2,1-4H3
InChIKeyLRFHDUYLEXBTRU-UHFFFAOYSA-N
MW2556.23 g/mol
LogP28.87
Rot. Bonds42

About 1-methyl-5-[4-[4-(3-methyl-2-propan-2-ylimidazol-4-yl)phenyl]phenyl]-2-propan-2-ylimidazole;N-methyl-1-propan-2-yl-N-(4-propan-2-ylcyclohexyl)piperidin-4-amine;(2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;1-propan-2-yl-4-[(1-propan-2-ylazetidin-3-yl)methyl]piperazine;N-propan-2-yl-N-[(1-propan-2-ylazetidin-3-yl)methyl]-3-propan-2-yloxycyclobutan-1-amine;N-propan-2-yl-N-[(4-propan-2-ylcyclohexyl)methyl]-3-propan-2-yloxycyclobutan-1-amine;1-propan-2-yl-4-(3-propan-2-ylcyclopentyl)piperazine;1-propan-2-yl-4-[(1-propan-2-ylpyrrolidin-3-yl)methoxy]piperidine;1-propan-2-yl-4-(2-propan-2-ylsulfanylethyl)piperazine

1-methyl-5-[4-[4-(3-methyl-2-propan-2-ylimidazol-4-yl)phenyl]phenyl]-2-propan-2-ylimidazole;N-methyl-1-propan-2-yl-N-(4-propan-2-ylcyclohexyl)piperidin-4-amine;(2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;1-propan-2-yl-4-[(1-propan-2-ylazetidin-3-yl)methyl]piperazine;N-propan-2-yl-N-[(1-propan-2-ylazetidin-3-yl)methyl]-3-propan-2-yloxycyclobutan-1-amine;N-propan-2-yl-N-[(4-propan-2-ylcyclohexyl)methyl]-3-propan-2-yloxycyclobutan-1-amine;1-propan-2-yl-4-(3-propan-2-ylcyclopentyl)piperazine;1-propan-2-yl-4-[(1-propan-2-ylpyrrolidin-3-yl)methoxy]piperidine;1-propan-2-yl-4-(2-propan-2-ylsulfanylethyl)piperazine (PubChem CID 159432974) has the molecular formula C155H288N22O4S and a molecular weight of 2556.23 g/mol. Its IUPAC name is 1-methyl-5-[4-[4-(3-methyl-2-propan-2-ylimidazol-4-yl)phenyl]phenyl]-2-propan-2-ylimidazole;N-methyl-1-propan-2-yl-N-(4-propan-2-ylcyclohexyl)piperidin-4-amine;(2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;1-propan-2-yl-4-[(1-propan-2-ylazetidin-3-yl)methyl]piperazine;N-propan-2-yl-N-[(1-propan-2-ylazetidin-3-yl)methyl]-3-propan-2-yloxycyclobutan-1-amine;N-propan-2-yl-N-[(4-propan-2-ylcyclohexyl)methyl]-3-propan-2-yloxycyclobutan-1-amine;1-propan-2-yl-4-(3-propan-2-ylcyclopentyl)piperazine;1-propan-2-yl-4-[(1-propan-2-ylpyrrolidin-3-yl)methoxy]piperidine;1-propan-2-yl-4-(2-propan-2-ylsulfanylethyl)piperazine.

Molecular Properties

Compound Name1-methyl-5-[4-[4-(3-methyl-2-propan-2-ylimidazol-4-yl)phenyl]phenyl]-2-propan-2-ylimidazole;N-methyl-1-propan-2-yl-N-(4-propan-2-ylcyclohexyl)piperidin-4-amine;(2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;1-propan-2-yl-4-[(1-propan-2-ylazetidin-3-yl)methyl]piperazine;N-propan-2-yl-N-[(1-propan-2-ylazetidin-3-yl)methyl]-3-propan-2-yloxycyclobutan-1-amine;N-propan-2-yl-N-[(4-propan-2-ylcyclohexyl)methyl]-3-propan-2-yloxycyclobutan-1-amine;1-propan-2-yl-4-(3-propan-2-ylcyclopentyl)piperazine;1-propan-2-yl-4-[(1-propan-2-ylpyrrolidin-3-yl)methoxy]piperidine;1-propan-2-yl-4-(2-propan-2-ylsulfanylethyl)piperazine
PubChem CID159432974
Molecular FormulaC155H288N22O4S
Molecular Weight2556.23 g/mol
Exact Mass2554.27
IUPAC Name1-methyl-5-[4-[4-(3-methyl-2-propan-2-ylimidazol-4-yl)phenyl]phenyl]-2-propan-2-ylimidazole;N-methyl-1-propan-2-yl-N-(4-propan-2-ylcyclohexyl)piperidin-4-amine;(2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;1-propan-2-yl-4-[(1-propan-2-ylazetidin-3-yl)methyl]piperazine;N-propan-2-yl-N-[(1-propan-2-ylazetidin-3-yl)methyl]-3-propan-2-yloxycyclobutan-1-amine;N-propan-2-yl-N-[(4-propan-2-ylcyclohexyl)methyl]-3-propan-2-yloxycyclobutan-1-amine;1-propan-2-yl-4-(3-propan-2-ylcyclopentyl)piperazine;1-propan-2-yl-4-[(1-propan-2-ylpyrrolidin-3-yl)methoxy]piperidine;1-propan-2-yl-4-(2-propan-2-ylsulfanylethyl)piperazine
SMILESCC(C)C1CCC(N(C)C2CCN(C(C)C)CC2)CC1.CC(C)C1CCC(N2CCN(C(C)C)CC2)C1.CC(C)N1CCC(OCC2CCN(C(C)C)C2)CC1.CC(C)N1CCN(C(=O)N2CC3CN(C(C)C)CC3C2)CC1.CC(C)N1CCN(CC2CN(C(C)C)C2)CC1.CC(C)OC1CC(N(CC2CCC(C(C)C)CC2)C(C)C)C1.CC(C)OC1CC(N(CC2CN(C(C)C)C2)C(C)C)C1.CC(C)SCCN1CCN(C(C)C)CC1.CC(C)c1ncc(-c2ccc(-c3ccc(-c4cnc(C(C)C)n4C)cc3)cc2)n1C
InChIInChI=1S/C26H30N4.C20H39NO.C18H36N2.C17H32N4O.C17H34N2O.C16H32N2O.C15H30N2.C14H29N3.C12H26N2S/c1-17(2)25-27-15-23(29(25)5)21-11-7-19(8-12-21)20-9-13-22(14-10-20)24-16-28-26(18(3)4)30(24)6;1-14(2)18-9-7-17(8-10-18)13-21(15(3)4)19-11-20(12-19)22-16(5)6;1-14(2)16-6-8-17(9-7-16)19(5)18-10-12-20(13-11-18)15(3)4;1-13(2)18-5-7-19(8-6-18)17(22)21-11-15-9-20(14(3)4)10-16(15)12-21;1-12(2)18-9-15(10-18)11-19(13(3)4)16-7-17(8-16)20-14(5)6;1-13(2)17-9-6-16(7-10-17)19-12-15-5-8-18(11-15)14(3)4;1-12(2)14-5-6-15(11-14)17-9-7-16(8-10-17)13(3)4;1-12(2)16-7-5-15(6-8-16)9-14-10-17(11-14)13(3)4;1-11(2)14-7-5-13(6-8-14)9-10-15-12(3)4/h7-18H,1-6H3;14-20H,7-13H2,1-6H3;14-18H,6-13H2,1-5H3;13-16H,5-12H2,1-4H3;12-17H,7-11H2,1-6H3;13-16H,5-12H2,1-4H3;12-15H,5-11H2,1-4H3;12-14H,5-11H2,1-4H3;11-12H,5-10H2,1-4H3
InChIKeyLRFHDUYLEXBTRU-UHFFFAOYSA-N
XLogP28.87
TPSA138.72 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds42
Heavy Atoms182
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002556.23
LogP ≤ 528.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze 1-methyl-5-[4-[4-(3-methyl-2-propan-2-ylimidazol-4-yl)phenyl]phenyl]-2-propan-2-ylimidazole;N-methyl-1-propan-2-yl-N-(4-propan-2-ylcyclohexyl)piperidin-4-amine;(2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;1-propan-2-yl-4-[(1-propan-2-ylazetidin-3-yl)methyl]piperazine;N-propan-2-yl-N-[(1-propan-2-ylazetidin-3-yl)methyl]-3-propan-2-yloxycyclobutan-1-amine;N-propan-2-yl-N-[(4-propan-2-ylcyclohexyl)methyl]-3-propan-2-yloxycyclobutan-1-amine;1-propan-2-yl-4-(3-propan-2-ylcyclopentyl)piperazine;1-propan-2-yl-4-[(1-propan-2-ylpyrrolidin-3-yl)methoxy]piperidine;1-propan-2-yl-4-(2-propan-2-ylsulfanylethyl)piperazine with MolForge

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Related Compounds

ethane;N-[(4-methylcyclohexyl)methyl]-N-propan-2-yl-3-propan-2-yloxycyclobutan-1-amine;N-methyl-N-(4-methylcyclohexyl)-1-propan-2-ylpiperidin-4-amine;1-methyl-2-propan-2-yl-5-[4-(4-propan-2-ylphenyl)phenyl]imidazole;(2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;N-propan-2-yl-N-[(1-propan-2-ylazetidin-3-yl)methyl]-3-propan-2-yloxycyclobutan-1-amine;1-propan-2-yl-4-(3-propan-2-ylcyclopentyl)piperazine
CID 159581022
N,1-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;ethane;1-methyl-5-[4-[4-(3-methyl-2-propan-2-ylimidazol-4-yl)phenyl]phenyl]-2-propan-2-ylimidazole;(2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;N-propan-2-yl-N-[(1-propan-2-ylazetidin-3-yl)methyl]-3-propan-2-yloxycyclobutan-1-amine;N-propan-2-yl-N-[(4-propan-2-ylcyclohexyl)methyl]-3-propan-2-yloxycyclobutan-1-amine;1-propan-2-yl-4-(3-propan-2-ylcyclopentyl)piperazine
CID 160548835
CID 160563815
CID 160563815
CID 161140098
CID 161140098
ethane;N-methyl-N-(4-methylcyclohexyl)-1-propan-2-ylpiperidin-4-amine;1-methyl-5-[4-[4-(3-methyl-2-propan-2-ylimidazol-4-yl)phenyl]phenyl]-2-propan-2-ylimidazole;(2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;N-propan-2-yl-N-[(1-propan-2-ylazetidin-3-yl)methyl]-3-propan-2-yloxycyclobutan-1-amine;1-propan-2-yl-4-[(1-propan-2-ylpyrrolidin-3-yl)methoxy]piperidine
CID 167580379
CID 167588486
CID 167588486
1-methyl-5-[4-[4-(3-methyl-2-propan-2-ylimidazol-4-yl)phenyl]phenyl]-2-propan-2-ylimidazole;N-methyl-4-propan-2-yl-N-(4-propan-2-ylcyclohexyl)cyclohexan-1-amine;(2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;1-propan-2-yl-4-[(3-propan-2-ylcyclobutyl)methyl]piperazine;N-propan-2-yl-N-[(3-propan-2-ylcyclobutyl)methyl]-3-propan-2-yloxycyclobutan-1-amine;N-propan-2-yl-N-[(4-propan-2-ylcyclohexyl)methyl]-3-propan-2-yloxycyclobutan-1-amine;1-propan-2-yl-4-[(3-propan-2-ylcyclopentyl)methoxy]piperidine;1-propan-2-yl-4-(3-propan-2-ylcyclopentyl)piperazine;1-propan-2-yl-4-(2-propan-2-ylsulfanylethyl)piperazine
CID 167669446
(2R,6R)-2,6-dimethyl-1-(3-methylbutyl)-4-propan-2-ylpiperazine;1-methyl-5-[4-[4-(3-methyl-2-propan-2-ylimidazol-4-yl)phenyl]phenyl]-2-propan-2-ylimidazole;N-methyl-1-propan-2-yl-N-(1-propan-2-ylazetidin-3-yl)piperidine-4-carboxamide;N-methyl-1-propan-2-yl-N-(2-propan-2-yloxyethyl)pyrrolidin-3-amine;1-propan-2-yl-4-[(1-propan-2-ylazetidin-3-yl)methyl]piperazine;(1R,4R,5S)-2-propan-2-yl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-2-azabicyclo[2.2.1]heptane;1-propan-2-yl-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;1-propan-2-yl-4-[(1-propan-2-ylpyrrolidin-3-yl)methoxy]piperidine;1-propan-2-yl-4-(2-propan-2-ylsulfanylethyl)piperazine
CID 167670473
N-(4-tert-butylcyclohexyl)-N-methyl-1-propan-2-ylpiperidin-4-amine;N-[(4-tert-butylcyclohexyl)methyl]-N-propan-2-yl-3-propan-2-yloxycyclobutan-1-amine;1-methyl-2-propan-2-yl-5-[4-(4-propan-2-ylphenyl)phenyl]imidazole;(2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;N-propan-2-yl-N-[(1-propan-2-ylazetidin-3-yl)methyl]-3-propan-2-yloxycyclobutan-1-amine;1-propan-2-yl-4-(3-propan-2-ylcyclopentyl)piperazine
CID 167672057

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[4-[4-(3-methyl-2-propan-2-ylimidazol-4-yl)phenyl]phenyl]-2-propan-2-ylimidazole;N-methyl-1-propan-2-yl-N-(4-propan-2-ylcyclohexyl)piperidin-4-amine;(2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;1-propan-2-yl-4-[(1-propan-2-ylazetidin-3-yl)methyl]piperazine;N-propan-2-yl-N-[(1-propan-2-ylazetidin-3-yl)methyl]-3-propan-2-yloxycyclobutan-1-amine;N-propan-2-yl-N-[(4-propan-2-ylcyclohexyl)methyl]-3-propan-2-yloxycyclobutan-1-amine;1-propan-2-yl-4-(3-propan-2-ylcyclopentyl)piperazine;1-propan-2-yl-4-[(1-propan-2-ylpyrrolidin-3-yl)methoxy]piperidine;1-propan-2-yl-4-(2-propan-2-ylsulfanylethyl)piperazine?
The IUPAC name of 1-methyl-5-[4-[4-(3-methyl-2-propan-2-ylimidazol-4-yl)phenyl]phenyl]-2-propan-2-ylimidazole;N-methyl-1-propan-2-yl-N-(4-propan-2-ylcyclohexyl)piperidin-4-amine;(2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;1-propan-2-yl-4-[(1-propan-2-ylazetidin-3-yl)methyl]piperazine;N-propan-2-yl-N-[(1-propan-2-ylazetidin-3-yl)methyl]-3-propan-2-yloxycyclobutan-1-amine;N-propan-2-yl-N-[(4-propan-2-ylcyclohexyl)methyl]-3-propan-2-yloxycyclobutan-1-amine;1-propan-2-yl-4-(3-propan-2-ylcyclopentyl)piperazine;1-propan-2-yl-4-[(1-propan-2-ylpyrrolidin-3-yl)methoxy]piperidine;1-propan-2-yl-4-(2-propan-2-ylsulfanylethyl)piperazine (CID 159432974) is 1-methyl-5-[4-[4-(3-methyl-2-propan-2-ylimidazol-4-yl)phenyl]phenyl]-2-propan-2-ylimidazole;N-methyl-1-propan-2-yl-N-(4-propan-2-ylcyclohexyl)piperidin-4-amine;(2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;1-propan-2-yl-4-[(1-propan-2-ylazetidin-3-yl)methyl]piperazine;N-propan-2-yl-N-[(1-propan-2-ylazetidin-3-yl)methyl]-3-propan-2-yloxycyclobutan-1-amine;N-propan-2-yl-N-[(4-propan-2-ylcyclohexyl)methyl]-3-propan-2-yloxycyclobutan-1-amine;1-propan-2-yl-4-(3-propan-2-ylcyclopentyl)piperazine;1-propan-2-yl-4-[(1-propan-2-ylpyrrolidin-3-yl)methoxy]piperidine;1-propan-2-yl-4-(2-propan-2-ylsulfanylethyl)piperazine.
What is the SMILES notation for 1-methyl-5-[4-[4-(3-methyl-2-propan-2-ylimidazol-4-yl)phenyl]phenyl]-2-propan-2-ylimidazole;N-methyl-1-propan-2-yl-N-(4-propan-2-ylcyclohexyl)piperidin-4-amine;(2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;1-propan-2-yl-4-[(1-propan-2-ylazetidin-3-yl)methyl]piperazine;N-propan-2-yl-N-[(1-propan-2-ylazetidin-3-yl)methyl]-3-propan-2-yloxycyclobutan-1-amine;N-propan-2-yl-N-[(4-propan-2-ylcyclohexyl)methyl]-3-propan-2-yloxycyclobutan-1-amine;1-propan-2-yl-4-(3-propan-2-ylcyclopentyl)piperazine;1-propan-2-yl-4-[(1-propan-2-ylpyrrolidin-3-yl)methoxy]piperidine;1-propan-2-yl-4-(2-propan-2-ylsulfanylethyl)piperazine?
The canonical SMILES for 1-methyl-5-[4-[4-(3-methyl-2-propan-2-ylimidazol-4-yl)phenyl]phenyl]-2-propan-2-ylimidazole;N-methyl-1-propan-2-yl-N-(4-propan-2-ylcyclohexyl)piperidin-4-amine;(2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;1-propan-2-yl-4-[(1-propan-2-ylazetidin-3-yl)methyl]piperazine;N-propan-2-yl-N-[(1-propan-2-ylazetidin-3-yl)methyl]-3-propan-2-yloxycyclobutan-1-amine;N-propan-2-yl-N-[(4-propan-2-ylcyclohexyl)methyl]-3-propan-2-yloxycyclobutan-1-amine;1-propan-2-yl-4-(3-propan-2-ylcyclopentyl)piperazine;1-propan-2-yl-4-[(1-propan-2-ylpyrrolidin-3-yl)methoxy]piperidine;1-propan-2-yl-4-(2-propan-2-ylsulfanylethyl)piperazine is CC(C)C1CCC(N(C)C2CCN(C(C)C)CC2)CC1.CC(C)C1CCC(N2CCN(C(C)C)CC2)C1.CC(C)N1CCC(OCC2CCN(C(C)C)C2)CC1.CC(C)N1CCN(C(=O)N2CC3CN(C(C)C)CC3C2)CC1.CC(C)N1CCN(CC2CN(C(C)C)C2)CC1.CC(C)OC1CC(N(CC2CCC(C(C)C)CC2)C(C)C)C1.CC(C)OC1CC(N(CC2CN(C(C)C)C2)C(C)C)C1.CC(C)SCCN1CCN(C(C)C)CC1.CC(C)c1ncc(-c2ccc(-c3ccc(-c4cnc(C(C)C)n4C)cc3)cc2)n1C.
What is the InChIKey of 1-methyl-5-[4-[4-(3-methyl-2-propan-2-ylimidazol-4-yl)phenyl]phenyl]-2-propan-2-ylimidazole;N-methyl-1-propan-2-yl-N-(4-propan-2-ylcyclohexyl)piperidin-4-amine;(2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;1-propan-2-yl-4-[(1-propan-2-ylazetidin-3-yl)methyl]piperazine;N-propan-2-yl-N-[(1-propan-2-ylazetidin-3-yl)methyl]-3-propan-2-yloxycyclobutan-1-amine;N-propan-2-yl-N-[(4-propan-2-ylcyclohexyl)methyl]-3-propan-2-yloxycyclobutan-1-amine;1-propan-2-yl-4-(3-propan-2-ylcyclopentyl)piperazine;1-propan-2-yl-4-[(1-propan-2-ylpyrrolidin-3-yl)methoxy]piperidine;1-propan-2-yl-4-(2-propan-2-ylsulfanylethyl)piperazine?
The InChIKey is LRFHDUYLEXBTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4.C20H39NO.C18H36N2.C17H32N4O.C17H34N2O.C16H32N2O.C15H30N2.C14H29N3.C12H26N2S/c1-17(2)25-27-15-23(29(25)5)21-11-7-19(8-12-21)20-9-13-22(14-10-20)24-16-28-26(18(3)4)30(24)6;1-14(2)18-9-7-17(8-10-18)13-21(15(3)4)19-11-20(12-19)22-16(5)6;1-14(2)16-6-8-17(9-7-16)19(5)18-10-12-20(13-11-18)15(3)4;1-13(2)18-5-7-19(8-6-18)17(22)21-11-15-9-20(14(3)4)10-16(15)12-21;1-12(2)18-9-15(10-18)11-19(13(3)4)16-7-17(8-16)20-14(5)6;1-13(2)17-9-6-16(7-10-17)19-12-15-5-8-18(11-15)14(3)4;1-12(2)14-5-6-15(11-14)17-9-7-16(8-10-17)13(3)4;1-12(2)16-7-5-15(6-8-16)9-14-10-17(11-14)13(3)4;1-11(2)14-7-5-13(6-8-14)9-10-15-12(3)4/h7-18H,1-6H3;14-20H,7-13H2,1-6H3;14-18H,6-13H2,1-5H3;13-16H,5-12H2,1-4H3;12-17H,7-11H2,1-6H3;13-16H,5-12H2,1-4H3;12-15H,5-11H2,1-4H3;12-14H,5-11H2,1-4H3;11-12H,5-10H2,1-4H3.
What are the key properties of 1-methyl-5-[4-[4-(3-methyl-2-propan-2-ylimidazol-4-yl)phenyl]phenyl]-2-propan-2-ylimidazole;N-methyl-1-propan-2-yl-N-(4-propan-2-ylcyclohexyl)piperidin-4-amine;(2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;1-propan-2-yl-4-[(1-propan-2-ylazetidin-3-yl)methyl]piperazine;N-propan-2-yl-N-[(1-propan-2-ylazetidin-3-yl)methyl]-3-propan-2-yloxycyclobutan-1-amine;N-propan-2-yl-N-[(4-propan-2-ylcyclohexyl)methyl]-3-propan-2-yloxycyclobutan-1-amine;1-propan-2-yl-4-(3-propan-2-ylcyclopentyl)piperazine;1-propan-2-yl-4-[(1-propan-2-ylpyrrolidin-3-yl)methoxy]piperidine;1-propan-2-yl-4-(2-propan-2-ylsulfanylethyl)piperazine?
1-methyl-5-[4-[4-(3-methyl-2-propan-2-ylimidazol-4-yl)phenyl]phenyl]-2-propan-2-ylimidazole;N-methyl-1-propan-2-yl-N-(4-propan-2-ylcyclohexyl)piperidin-4-amine;(2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;1-propan-2-yl-4-[(1-propan-2-ylazetidin-3-yl)methyl]piperazine;N-propan-2-yl-N-[(1-propan-2-ylazetidin-3-yl)methyl]-3-propan-2-yloxycyclobutan-1-amine;N-propan-2-yl-N-[(4-propan-2-ylcyclohexyl)methyl]-3-propan-2-yloxycyclobutan-1-amine;1-propan-2-yl-4-(3-propan-2-ylcyclopentyl)piperazine;1-propan-2-yl-4-[(1-propan-2-ylpyrrolidin-3-yl)methoxy]piperidine;1-propan-2-yl-4-(2-propan-2-ylsulfanylethyl)piperazine has a molecular weight of 2556.23 g/mol, XLogP of 28.87, 42 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[4-[4-(3-methyl-2-propan-2-ylimidazol-4-yl)phenyl]phenyl]-2-propan-2-ylimidazole;N-methyl-1-propan-2-yl-N-(4-propan-2-ylcyclohexyl)piperidin-4-amine;(2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;1-propan-2-yl-4-[(1-propan-2-ylazetidin-3-yl)methyl]piperazine;N-propan-2-yl-N-[(1-propan-2-ylazetidin-3-yl)methyl]-3-propan-2-yloxycyclobutan-1-amine;N-propan-2-yl-N-[(4-propan-2-ylcyclohexyl)methyl]-3-propan-2-yloxycyclobutan-1-amine;1-propan-2-yl-4-(3-propan-2-ylcyclopentyl)piperazine;1-propan-2-yl-4-[(1-propan-2-ylpyrrolidin-3-yl)methoxy]piperidine;1-propan-2-yl-4-(2-propan-2-ylsulfanylethyl)piperazine is sourced from PubChem (CID 159432974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).