1-tert-butyl-3-methylbenzene;1-(3-tert-butyl-5-methylphenyl)-4-methylimidazole;1-[(3-tert-butyl-5-methylphenyl)methyl]-4-methylpiperazine;1-[(4-tert-butyl-2-methylphenyl)methyl]-4-methylpiperazine;5-[(4-tert-butyl-2-methylphenyl)methyl]-N-methylpyridine-2-carboxamide;1-[5-[(4-tert-butyl-2-methylphenyl)methyl]-2-pyridinyl]ethanone;1-[5-[(4-tert-butyl-2-methylphenyl)methyl]-3-pyridinyl]ethanone;1-tert-butyl-3-methyl-5-(trifluoromethyl)benzene

C129H177F3N10O3 — CID 160554510

IUPAC1-tert-butyl-3-methylbenzene;1-(3-tert-butyl-5-methylphenyl)-4-methylimidazole;1-[(3-tert-butyl-5-methylphenyl)methyl]-4-methylpiperazine;1-[(4-tert-butyl-2-methylphenyl)methyl]-4-methylpiperazine;5-[(4-tert-butyl-2-methylphenyl)methyl]-N-methylpyridine-2-carboxamide;1-[5-[(4-tert-butyl-2-methylphenyl)methyl]-2-pyridinyl]ethanone;1-[5-[(4-tert-butyl-2-methylphenyl)methyl]-3-pyridinyl]ethanone;1-tert-butyl-3-methyl-5-(trifluoromethyl)benzene
SMILESCC(=O)c1ccc(Cc2ccc(C(C)(C)C)cc2C)cn1.CC(=O)c1cncc(Cc2ccc(C(C)(C)C)cc2C)c1.CNC(=O)c1ccc(Cc2ccc(C(C)(C)C)cc2C)cn1.Cc1cc(-n2cnc(C)c2)cc(C(C)(C)C)c1.Cc1cc(C(C)(C)C)cc(C(F)(F)F)c1.Cc1cc(C(C)(C)C)ccc1CN1CCN(C)CC1.Cc1cc(CN2CCN(C)CC2)cc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1
InChIInChI=1S/C19H24N2O.2C19H23NO.2C17H28N2.C15H20N2.C12H15F3.C11H16/c1-13-10-16(19(2,3)4)8-7-15(13)11-14-6-9-17(21-12-14)18(22)20-5;1-13-10-17(19(3,4)5)8-7-16(13)11-15-6-9-18(14(2)21)20-12-15;1-13-8-18(19(3,4)5)7-6-16(13)9-15-10-17(14(2)21)12-20-11-15;1-14-10-15(12-16(11-14)17(2,3)4)13-19-8-6-18(5)7-9-19;1-14-12-16(17(2,3)4)7-6-15(14)13-19-10-8-18(5)9-11-19;1-11-6-13(15(3,4)5)8-14(7-11)17-9-12(2)16-10-17;1-8-5-9(11(2,3)4)7-10(6-8)12(13,14)15;1-9-6-5-7-10(8-9)11(2,3)4/h6-10,12H,11H2,1-5H3,(H,20,22);6-10,12H,11H2,1-5H3;6-8,10-12H,9H2,1-5H3;10-12H,6-9,13H2,1-5H3;6-7,12H,8-11,13H2,1-5H3;6-10H,1-5H3;5-7H,1-4H3;5-8H,1-4H3
InChIKeyQYMSCNODFLJFRE-UHFFFAOYSA-N
MW1972.90 g/mol
LogP30.07
Rot. Bonds14

About 1-tert-butyl-3-methylbenzene;1-(3-tert-butyl-5-methylphenyl)-4-methylimidazole;1-[(3-tert-butyl-5-methylphenyl)methyl]-4-methylpiperazine;1-[(4-tert-butyl-2-methylphenyl)methyl]-4-methylpiperazine;5-[(4-tert-butyl-2-methylphenyl)methyl]-N-methylpyridine-2-carboxamide;1-[5-[(4-tert-butyl-2-methylphenyl)methyl]-2-pyridinyl]ethanone;1-[5-[(4-tert-butyl-2-methylphenyl)methyl]-3-pyridinyl]ethanone;1-tert-butyl-3-methyl-5-(trifluoromethyl)benzene

1-tert-butyl-3-methylbenzene;1-(3-tert-butyl-5-methylphenyl)-4-methylimidazole;1-[(3-tert-butyl-5-methylphenyl)methyl]-4-methylpiperazine;1-[(4-tert-butyl-2-methylphenyl)methyl]-4-methylpiperazine;5-[(4-tert-butyl-2-methylphenyl)methyl]-N-methylpyridine-2-carboxamide;1-[5-[(4-tert-butyl-2-methylphenyl)methyl]-2-pyridinyl]ethanone;1-[5-[(4-tert-butyl-2-methylphenyl)methyl]-3-pyridinyl]ethanone;1-tert-butyl-3-methyl-5-(trifluoromethyl)benzene (PubChem CID 160554510) has the molecular formula C129H177F3N10O3 and a molecular weight of 1972.90 g/mol. Its IUPAC name is 1-tert-butyl-3-methylbenzene;1-(3-tert-butyl-5-methylphenyl)-4-methylimidazole;1-[(3-tert-butyl-5-methylphenyl)methyl]-4-methylpiperazine;1-[(4-tert-butyl-2-methylphenyl)methyl]-4-methylpiperazine;5-[(4-tert-butyl-2-methylphenyl)methyl]-N-methylpyridine-2-carboxamide;1-[5-[(4-tert-butyl-2-methylphenyl)methyl]-2-pyridinyl]ethanone;1-[5-[(4-tert-butyl-2-methylphenyl)methyl]-3-pyridinyl]ethanone;1-tert-butyl-3-methyl-5-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-tert-butyl-3-methylbenzene;1-(3-tert-butyl-5-methylphenyl)-4-methylimidazole;1-[(3-tert-butyl-5-methylphenyl)methyl]-4-methylpiperazine;1-[(4-tert-butyl-2-methylphenyl)methyl]-4-methylpiperazine;5-[(4-tert-butyl-2-methylphenyl)methyl]-N-methylpyridine-2-carboxamide;1-[5-[(4-tert-butyl-2-methylphenyl)methyl]-2-pyridinyl]ethanone;1-[5-[(4-tert-butyl-2-methylphenyl)methyl]-3-pyridinyl]ethanone;1-tert-butyl-3-methyl-5-(trifluoromethyl)benzene
PubChem CID160554510
Molecular FormulaC129H177F3N10O3
Molecular Weight1972.90 g/mol
Exact Mass1971.40
IUPAC Name1-tert-butyl-3-methylbenzene;1-(3-tert-butyl-5-methylphenyl)-4-methylimidazole;1-[(3-tert-butyl-5-methylphenyl)methyl]-4-methylpiperazine;1-[(4-tert-butyl-2-methylphenyl)methyl]-4-methylpiperazine;5-[(4-tert-butyl-2-methylphenyl)methyl]-N-methylpyridine-2-carboxamide;1-[5-[(4-tert-butyl-2-methylphenyl)methyl]-2-pyridinyl]ethanone;1-[5-[(4-tert-butyl-2-methylphenyl)methyl]-3-pyridinyl]ethanone;1-tert-butyl-3-methyl-5-(trifluoromethyl)benzene
SMILESCC(=O)c1ccc(Cc2ccc(C(C)(C)C)cc2C)cn1.CC(=O)c1cncc(Cc2ccc(C(C)(C)C)cc2C)c1.CNC(=O)c1ccc(Cc2ccc(C(C)(C)C)cc2C)cn1.Cc1cc(-n2cnc(C)c2)cc(C(C)(C)C)c1.Cc1cc(C(C)(C)C)cc(C(F)(F)F)c1.Cc1cc(C(C)(C)C)ccc1CN1CCN(C)CC1.Cc1cc(CN2CCN(C)CC2)cc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1
InChIInChI=1S/C19H24N2O.2C19H23NO.2C17H28N2.C15H20N2.C12H15F3.C11H16/c1-13-10-16(19(2,3)4)8-7-15(13)11-14-6-9-17(21-12-14)18(22)20-5;1-13-10-17(19(3,4)5)8-7-16(13)11-15-6-9-18(14(2)21)20-12-15;1-13-8-18(19(3,4)5)7-6-16(13)9-15-10-17(14(2)21)12-20-11-15;1-14-10-15(12-16(11-14)17(2,3)4)13-19-8-6-18(5)7-9-19;1-14-12-16(17(2,3)4)7-6-15(14)13-19-10-8-18(5)9-11-19;1-11-6-13(15(3,4)5)8-14(7-11)17-9-12(2)16-10-17;1-8-5-9(11(2,3)4)7-10(6-8)12(13,14)15;1-9-6-5-7-10(8-9)11(2,3)4/h6-10,12H,11H2,1-5H3,(H,20,22);6-10,12H,11H2,1-5H3;6-8,10-12H,9H2,1-5H3;10-12H,6-9,13H2,1-5H3;6-7,12H,8-11,13H2,1-5H3;6-10H,1-5H3;5-7H,1-4H3;5-8H,1-4H3
InChIKeyQYMSCNODFLJFRE-UHFFFAOYSA-N
XLogP30.07
TPSA132.69 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001972.90
LogP ≤ 530.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze 1-tert-butyl-3-methylbenzene;1-(3-tert-butyl-5-methylphenyl)-4-methylimidazole;1-[(3-tert-butyl-5-methylphenyl)methyl]-4-methylpiperazine;1-[(4-tert-butyl-2-methylphenyl)methyl]-4-methylpiperazine;5-[(4-tert-butyl-2-methylphenyl)methyl]-N-methylpyridine-2-carboxamide;1-[5-[(4-tert-butyl-2-methylphenyl)methyl]-2-pyridinyl]ethanone;1-[5-[(4-tert-butyl-2-methylphenyl)methyl]-3-pyridinyl]ethanone;1-tert-butyl-3-methyl-5-(trifluoromethyl)benzene with MolForge

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Related Compounds

1-chloro-4-methyl-2-(trifluoromethyl)benzene;1,3-dimethyl-5-(trifluoromethyl)benzene;1-ethyl-4-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]piperazine;1-ethyl-4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazine;methylcyclopentane;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenoxy]piperidine;2-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;4-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;5-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine;1-methyl-4-[4-methyl-2-(trifluoromethyl)phenyl]piperazine;1-(4-methylpiperidin-1-yl)ethanone;4-[3-methyl-5-(trifluoromethyl)phenyl]morpholine;1-[4-methyl-2-(trifluoromethyl)phenyl]piperidine
CID 167562878
N,N-dimethyl-1-[(4-methylphenyl)methyl]pyrrolidin-3-amine;N,N-dimethyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine;1-methyl-4-[(4-methylphenyl)methyl]piperazine;4-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;1-methyl-4-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]piperazine;1-methyl-4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazine;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine;1-methyl-3-propan-2-ylbenzene;1-methyl-3-(trifluoromethoxy)benzene;1-methyl-3-(trifluoromethyl)benzene;4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]morpholine;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazine;3-methyl-5-(trifluoromethyl)pyridine;N,N,3-trimethyl-5-(trifluoromethyl)aniline
CID 161382636
4-[[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methylpyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]amino]pyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[[5-(piperazin-1-ylmethyl)-2-pyridinyl]amino]pyrimidine-5-carboxamide
CID 161313195
4-butyl-3-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 165142665
1-(3-ethynylphenyl)-2-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]ethanone
CID 159546657
N-hydroxy-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide
CID 122698167
N,2-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 67106005
N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 159517427
N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[2-[6-(trifluoromethyl)-2H-indazol-3-yl]ethynyl]pyridine-3-carboxamide
CID 165046692
[5-methyl-1-(3-methylphenyl)triazol-4-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 55857703
ethane;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone
CID 142962243
1-[3-ethyl-5-(trifluoromethyl)phenyl]-4-methylimidazole
CID 67891313

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-methylbenzene;1-(3-tert-butyl-5-methylphenyl)-4-methylimidazole;1-[(3-tert-butyl-5-methylphenyl)methyl]-4-methylpiperazine;1-[(4-tert-butyl-2-methylphenyl)methyl]-4-methylpiperazine;5-[(4-tert-butyl-2-methylphenyl)methyl]-N-methylpyridine-2-carboxamide;1-[5-[(4-tert-butyl-2-methylphenyl)methyl]-2-pyridinyl]ethanone;1-[5-[(4-tert-butyl-2-methylphenyl)methyl]-3-pyridinyl]ethanone;1-tert-butyl-3-methyl-5-(trifluoromethyl)benzene?
The IUPAC name of 1-tert-butyl-3-methylbenzene;1-(3-tert-butyl-5-methylphenyl)-4-methylimidazole;1-[(3-tert-butyl-5-methylphenyl)methyl]-4-methylpiperazine;1-[(4-tert-butyl-2-methylphenyl)methyl]-4-methylpiperazine;5-[(4-tert-butyl-2-methylphenyl)methyl]-N-methylpyridine-2-carboxamide;1-[5-[(4-tert-butyl-2-methylphenyl)methyl]-2-pyridinyl]ethanone;1-[5-[(4-tert-butyl-2-methylphenyl)methyl]-3-pyridinyl]ethanone;1-tert-butyl-3-methyl-5-(trifluoromethyl)benzene (CID 160554510) is 1-tert-butyl-3-methylbenzene;1-(3-tert-butyl-5-methylphenyl)-4-methylimidazole;1-[(3-tert-butyl-5-methylphenyl)methyl]-4-methylpiperazine;1-[(4-tert-butyl-2-methylphenyl)methyl]-4-methylpiperazine;5-[(4-tert-butyl-2-methylphenyl)methyl]-N-methylpyridine-2-carboxamide;1-[5-[(4-tert-butyl-2-methylphenyl)methyl]-2-pyridinyl]ethanone;1-[5-[(4-tert-butyl-2-methylphenyl)methyl]-3-pyridinyl]ethanone;1-tert-butyl-3-methyl-5-(trifluoromethyl)benzene.
What is the SMILES notation for 1-tert-butyl-3-methylbenzene;1-(3-tert-butyl-5-methylphenyl)-4-methylimidazole;1-[(3-tert-butyl-5-methylphenyl)methyl]-4-methylpiperazine;1-[(4-tert-butyl-2-methylphenyl)methyl]-4-methylpiperazine;5-[(4-tert-butyl-2-methylphenyl)methyl]-N-methylpyridine-2-carboxamide;1-[5-[(4-tert-butyl-2-methylphenyl)methyl]-2-pyridinyl]ethanone;1-[5-[(4-tert-butyl-2-methylphenyl)methyl]-3-pyridinyl]ethanone;1-tert-butyl-3-methyl-5-(trifluoromethyl)benzene?
The canonical SMILES for 1-tert-butyl-3-methylbenzene;1-(3-tert-butyl-5-methylphenyl)-4-methylimidazole;1-[(3-tert-butyl-5-methylphenyl)methyl]-4-methylpiperazine;1-[(4-tert-butyl-2-methylphenyl)methyl]-4-methylpiperazine;5-[(4-tert-butyl-2-methylphenyl)methyl]-N-methylpyridine-2-carboxamide;1-[5-[(4-tert-butyl-2-methylphenyl)methyl]-2-pyridinyl]ethanone;1-[5-[(4-tert-butyl-2-methylphenyl)methyl]-3-pyridinyl]ethanone;1-tert-butyl-3-methyl-5-(trifluoromethyl)benzene is CC(=O)c1ccc(Cc2ccc(C(C)(C)C)cc2C)cn1.CC(=O)c1cncc(Cc2ccc(C(C)(C)C)cc2C)c1.CNC(=O)c1ccc(Cc2ccc(C(C)(C)C)cc2C)cn1.Cc1cc(-n2cnc(C)c2)cc(C(C)(C)C)c1.Cc1cc(C(C)(C)C)cc(C(F)(F)F)c1.Cc1cc(C(C)(C)C)ccc1CN1CCN(C)CC1.Cc1cc(CN2CCN(C)CC2)cc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1.
What is the InChIKey of 1-tert-butyl-3-methylbenzene;1-(3-tert-butyl-5-methylphenyl)-4-methylimidazole;1-[(3-tert-butyl-5-methylphenyl)methyl]-4-methylpiperazine;1-[(4-tert-butyl-2-methylphenyl)methyl]-4-methylpiperazine;5-[(4-tert-butyl-2-methylphenyl)methyl]-N-methylpyridine-2-carboxamide;1-[5-[(4-tert-butyl-2-methylphenyl)methyl]-2-pyridinyl]ethanone;1-[5-[(4-tert-butyl-2-methylphenyl)methyl]-3-pyridinyl]ethanone;1-tert-butyl-3-methyl-5-(trifluoromethyl)benzene?
The InChIKey is QYMSCNODFLJFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O.2C19H23NO.2C17H28N2.C15H20N2.C12H15F3.C11H16/c1-13-10-16(19(2,3)4)8-7-15(13)11-14-6-9-17(21-12-14)18(22)20-5;1-13-10-17(19(3,4)5)8-7-16(13)11-15-6-9-18(14(2)21)20-12-15;1-13-8-18(19(3,4)5)7-6-16(13)9-15-10-17(14(2)21)12-20-11-15;1-14-10-15(12-16(11-14)17(2,3)4)13-19-8-6-18(5)7-9-19;1-14-12-16(17(2,3)4)7-6-15(14)13-19-10-8-18(5)9-11-19;1-11-6-13(15(3,4)5)8-14(7-11)17-9-12(2)16-10-17;1-8-5-9(11(2,3)4)7-10(6-8)12(13,14)15;1-9-6-5-7-10(8-9)11(2,3)4/h6-10,12H,11H2,1-5H3,(H,20,22);6-10,12H,11H2,1-5H3;6-8,10-12H,9H2,1-5H3;10-12H,6-9,13H2,1-5H3;6-7,12H,8-11,13H2,1-5H3;6-10H,1-5H3;5-7H,1-4H3;5-8H,1-4H3.
What are the key properties of 1-tert-butyl-3-methylbenzene;1-(3-tert-butyl-5-methylphenyl)-4-methylimidazole;1-[(3-tert-butyl-5-methylphenyl)methyl]-4-methylpiperazine;1-[(4-tert-butyl-2-methylphenyl)methyl]-4-methylpiperazine;5-[(4-tert-butyl-2-methylphenyl)methyl]-N-methylpyridine-2-carboxamide;1-[5-[(4-tert-butyl-2-methylphenyl)methyl]-2-pyridinyl]ethanone;1-[5-[(4-tert-butyl-2-methylphenyl)methyl]-3-pyridinyl]ethanone;1-tert-butyl-3-methyl-5-(trifluoromethyl)benzene?
1-tert-butyl-3-methylbenzene;1-(3-tert-butyl-5-methylphenyl)-4-methylimidazole;1-[(3-tert-butyl-5-methylphenyl)methyl]-4-methylpiperazine;1-[(4-tert-butyl-2-methylphenyl)methyl]-4-methylpiperazine;5-[(4-tert-butyl-2-methylphenyl)methyl]-N-methylpyridine-2-carboxamide;1-[5-[(4-tert-butyl-2-methylphenyl)methyl]-2-pyridinyl]ethanone;1-[5-[(4-tert-butyl-2-methylphenyl)methyl]-3-pyridinyl]ethanone;1-tert-butyl-3-methyl-5-(trifluoromethyl)benzene has a molecular weight of 1972.90 g/mol, XLogP of 30.07, 14 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-methylbenzene;1-(3-tert-butyl-5-methylphenyl)-4-methylimidazole;1-[(3-tert-butyl-5-methylphenyl)methyl]-4-methylpiperazine;1-[(4-tert-butyl-2-methylphenyl)methyl]-4-methylpiperazine;5-[(4-tert-butyl-2-methylphenyl)methyl]-N-methylpyridine-2-carboxamide;1-[5-[(4-tert-butyl-2-methylphenyl)methyl]-2-pyridinyl]ethanone;1-[5-[(4-tert-butyl-2-methylphenyl)methyl]-3-pyridinyl]ethanone;1-tert-butyl-3-methyl-5-(trifluoromethyl)benzene is sourced from PubChem (CID 160554510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).