4-chloro-2-fluoro-1-propan-2-ylbenzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)furan;bis(2,5-di(propan-2-yl)-1H-imidazole);1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine;dihydrochloride

C241H339Cl5F15N23O3S2 — CID 160990691

IUPAC4-chloro-2-fluoro-1-propan-2-ylbenzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)furan;bis(2,5-di(propan-2-yl)-1H-imidazole);1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine;dihydrochloride
SMILESCC(C)c1ccc(C(C)C)o1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C(F)(F)F)cc1F.CC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1ccc(Cl)cc1Cl.CC(C)c1ccc(Cl)cc1F.CC(C)c1ccc(F)cc1.CC(C)c1ccc(F)cc1F.CC(C)c1ccc[nH]1.CC(C)c1ccccc1.CC(C)c1ccccc1F.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccncc1.CC(C)c1cnc(C(C)C)[nH]1.CC(C)c1cnc(C(C)C)[nH]1.CC(C)c1cnc[nH]1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1ncccn1.Cc1ccc(C(C)C)[nH]1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)o1.Cc1ccc(C(C)C)s1.Cc1ncc(C(C)C)[nH]1.Cc1ncc(C(C)C)n1C.Cl.Cl
InChIInChI=1S/C10H10F4.C10H11F3.C10H16O.C10H14.C9H10Cl2.C9H10ClF.C9H10F3N.C9H10F2.2C9H11F.2C9H16N2.C9H13N.C9H12.C8H14N2.C8H13N.3C8H11N.C8H12O.C8H12S.C7H10N2.C7H12N2.2C7H10N2.C7H11N.C7H10O.C7H10S.C6H10N2.2ClH/c1-6(2)8-4-3-7(5-9(8)11)10(12,13)14;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-7(2)9-5-6-10(11-9)8(3)4;1-8(2)10-6-4-9(3)5-7-10;2*1-6(2)8-4-3-7(10)5-9(8)11;1-6(2)7-3-4-8(13-5-7)9(10,11)12;1-6(2)8-4-3-7(10)5-9(8)11;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-5-3-4-6-9(8)10;2*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;1-6(2)8-5-4-7(3)9-8;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;2*1-6(2)8-5-4-7(3)9-8;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;3*1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-4-8-6;;/h3-6H,1-2H3;3-7H,1-2H3;5-8H,1-4H3;4-8H,1-3H3;2*3-6H,1-2H3;3-6H,1-2H3;3-6H,1-2H3;2*3-7H,1-2H3;2*5-7H,1-4H3,(H,10,11);4-7H,1-3H3;3-8H,1-2H3;5-6H,1-4H3;4-6,9H,1-3H3;3*3-7H,1-2H3;2*4-6H,1-3H3;3-6H,1-2H3;4-5H,1-3H3,(H,8,9);2*3-6H,1-2H3;3-6,8H,1-2H3;2*3-6H,1-2H3;3-5H,1-2H3,(H,7,8);2*1H
InChIKeyWKMJMUQKXYWERS-UHFFFAOYSA-N
MW4132.89 g/mol
LogP78.24
Rot. Bonds32

About 4-chloro-2-fluoro-1-propan-2-ylbenzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)furan;bis(2,5-di(propan-2-yl)-1H-imidazole);1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine;dihydrochloride

4-chloro-2-fluoro-1-propan-2-ylbenzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)furan;bis(2,5-di(propan-2-yl)-1H-imidazole);1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine;dihydrochloride (PubChem CID 160990691) has the molecular formula C241H339Cl5F15N23O3S2 and a molecular weight of 4132.89 g/mol. Its IUPAC name is 4-chloro-2-fluoro-1-propan-2-ylbenzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)furan;bis(2,5-di(propan-2-yl)-1H-imidazole);1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine;dihydrochloride.

Molecular Properties

Compound Name4-chloro-2-fluoro-1-propan-2-ylbenzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)furan;bis(2,5-di(propan-2-yl)-1H-imidazole);1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine;dihydrochloride
PubChem CID160990691
Molecular FormulaC241H339Cl5F15N23O3S2
Molecular Weight4132.89 g/mol
Exact Mass4127.47
IUPAC Name4-chloro-2-fluoro-1-propan-2-ylbenzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)furan;bis(2,5-di(propan-2-yl)-1H-imidazole);1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine;dihydrochloride
SMILESCC(C)c1ccc(C(C)C)o1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C(F)(F)F)cc1F.CC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1ccc(Cl)cc1Cl.CC(C)c1ccc(Cl)cc1F.CC(C)c1ccc(F)cc1.CC(C)c1ccc(F)cc1F.CC(C)c1ccc[nH]1.CC(C)c1ccccc1.CC(C)c1ccccc1F.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccncc1.CC(C)c1cnc(C(C)C)[nH]1.CC(C)c1cnc(C(C)C)[nH]1.CC(C)c1cnc[nH]1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1ncccn1.Cc1ccc(C(C)C)[nH]1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)o1.Cc1ccc(C(C)C)s1.Cc1ncc(C(C)C)[nH]1.Cc1ncc(C(C)C)n1C.Cl.Cl
InChIInChI=1S/C10H10F4.C10H11F3.C10H16O.C10H14.C9H10Cl2.C9H10ClF.C9H10F3N.C9H10F2.2C9H11F.2C9H16N2.C9H13N.C9H12.C8H14N2.C8H13N.3C8H11N.C8H12O.C8H12S.C7H10N2.C7H12N2.2C7H10N2.C7H11N.C7H10O.C7H10S.C6H10N2.2ClH/c1-6(2)8-4-3-7(5-9(8)11)10(12,13)14;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-7(2)9-5-6-10(11-9)8(3)4;1-8(2)10-6-4-9(3)5-7-10;2*1-6(2)8-4-3-7(10)5-9(8)11;1-6(2)7-3-4-8(13-5-7)9(10,11)12;1-6(2)8-4-3-7(10)5-9(8)11;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-5-3-4-6-9(8)10;2*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;1-6(2)8-5-4-7(3)9-8;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;2*1-6(2)8-5-4-7(3)9-8;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;3*1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-4-8-6;;/h3-6H,1-2H3;3-7H,1-2H3;5-8H,1-4H3;4-8H,1-3H3;2*3-6H,1-2H3;3-6H,1-2H3;3-6H,1-2H3;2*3-7H,1-2H3;2*5-7H,1-4H3,(H,10,11);4-7H,1-3H3;3-8H,1-2H3;5-6H,1-4H3;4-6,9H,1-3H3;3*3-7H,1-2H3;2*4-6H,1-3H3;3-6H,1-2H3;4-5H,1-3H3,(H,8,9);2*3-6H,1-2H3;3-6,8H,1-2H3;2*3-6H,1-2H3;3-5H,1-2H3,(H,7,8);2*1H
InChIKeyWKMJMUQKXYWERS-UHFFFAOYSA-N
XLogP78.24
TPSA345.33 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds32
Heavy Atoms289
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004132.89
LogP ≤ 578.24
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

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

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Launch Full Analysis

Related Compounds

1-bromo-3-chloro-2-methylbenzene;bis(1-chloro-2,3-dimethylbenzene);4-chloro-1,2-dimethylbenzene;1-chloro-3-fluoro-2-methylbenzene;2-chloro-1-fluoro-3-methylbenzene;2-chloro-4-fluoro-1-methylbenzene;1-chloro-3-methoxy-2-methylbenzene;1-chloro-2-methylbenzene;1-chloro-4-methylbenzene;1,2-dichloro-3-methylbenzene;1,3-dichloro-2-methylbenzene;1,4-dichloro-2-methylbenzene;1,3-difluoro-2-methylbenzene;1-fluoro-2,3-dimethylbenzene;1-fluoro-2-methyl-3-(trifluoromethyl)benzene;2-methylfuran;5-methyl-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;2-methyl-1H-pyrrole;2-methylthiophene;toluene;1,2,3-trimethylbenzene;1,3-xylene
CID 157126358
CID 157560444
CID 157560444
4-chloro-2-fluoro-1-propan-2-ylbenzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-fluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine
CID 157968634
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;2,5-di(propan-2-yl)-1H-pyrrole;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1H-pyrrole;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;bis(1-propan-2-ylcyclopenta-1,3-diene);bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-yl-3H-pyrrole;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine
CID 158098105
2-[6-Chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-thiophen-2-ylethanone;2-[6-chloro-2-(4-chlorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]-1-(furan-3-yl)ethanone;2-[6-chloro-2-(4-chlorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]-1-thiophen-2-ylethanone;2-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-thiophen-2-ylethanone;2-[2-(4-methylphenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1-thiophen-2-ylethanone
CID 158304107
4-chloro-1,2-dimethylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;cumene;1,2-dimethyl-5-propan-2-ylimidazole;1,2-dimethyl-4-(trifluoromethyl)benzene;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1H-pyrrole;4-fluoro-1,2-dimethylbenzene;methane;tris(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylcyclopenta-1,3-diene;2-methyl-5-propan-2-ylfuran;2-methyl-4-propan-2-yl-3H-pyrrole;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;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;bis(1-propan-2-yl-4-(trifluoromethyl)benzene);1,2-xylene
CID 158746608
1-chloro-3-propan-2-ylbenzene;cumene;1-fluoro-3-propan-2-ylbenzene;5-fluoro-2-(4-propan-2-ylphenyl)pyrimidine;N-methyl-3-propan-2-ylbenzamide;1-methyl-4-propan-2-ylbenzene;2-methyl-5-(4-propan-2-ylphenyl)pyrimidine;bis(5-methyl-2-(4-propan-2-ylphenyl)pyrimidine);1-phenyl-4-propan-2-ylbenzene;3-(3-propan-2-ylphenyl)furan;2-(4-propan-2-ylphenyl)pyrazine;2-(4-propan-2-ylphenyl)pyridine;2-(4-propan-2-ylphenyl)pyrimidine;2-(4-propan-2-ylphenyl)-1,3-thiazole;2-(3-propan-2-ylphenyl)thiophene;3-(3-propan-2-ylphenyl)thiophene;1-propan-2-yl-3-(trifluoromethyl)benzene
CID 159026590
5-(4-chlorophenyl)-3-propan-2-yl-1,2,4-oxadiazole;1,2-dimethyl-5-propan-2-ylimidazole;2,4-dimethyl-1-propan-2-ylpyrrole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-ethyl-1-propan-2-ylpyrrole;5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-yl-1H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;3-propan-2-yl-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 159244259
1-bromo-3-chloro-2-methylbenzene;but-1-ene;bis(1-chloro-2,3-dimethylbenzene);2-chloro-1,3-dimethylbenzene;bis(2-chloro-1,4-dimethylbenzene);1-chloro-3-fluoro-2-methylbenzene;2-chloro-1-fluoro-3-methylbenzene;1-chloro-3-methoxy-2-methylbenzene;1-chloro-2-methylbenzene;1-chloro-4-methylbenzene;1,3-dichloro-2-methylbenzene;1,4-dichloro-2-methylbenzene;1,3-difluoro-2-methylbenzene;2,2-dimethylpropane;1-fluoro-2,3-dimethylbenzene;1-fluoro-2-methyl-3-(trifluoromethyl)benzene;methane;methylcyclobutane;methylcyclohexane;methylcyclopentane;methylcyclopropane;2-methylfuran;5-methyl-1H-imidazole;2-methylpropane;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;2-methyl-1H-pyrrole;2-methylthiophene;toluene;1,2,3-trimethylbenzene;1,3-xylene
CID 159302120
4-chloro-2-fluoro-1-propan-2-ylbenzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1H-pyrrole;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;methane;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-ylthiophene;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-yl-3H-pyrrole;2-propan-2-ylthiophene;bis(1-propan-2-yl-4-(trifluoromethyl)benzene)
CID 159418048
bis(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylcyclopenta-1,3-diene;2-methyl-5-propan-2-ylfuran;2-methyl-4-propan-2-yl-3H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-ylpyrazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;4-propan-2-yl-3H-pyrrole;2-propan-2-ylthiophene;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine
CID 160219326
4-chloro-1,2-dimethylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;cumene;1,2-dimethyl-5-propan-2-ylimidazole;1,2-dimethyl-4-(trifluoromethyl)benzene;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;4-fluoro-1,2-dimethylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylcyclopenta-1,3-diene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylpyridine;2-methyl-4-propan-2-yl-3H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;4-propan-2-yl-3H-pyrrole;2-propan-2-ylthiophene;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine;1,2-xylene
CID 160272212

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-1-propan-2-ylbenzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)furan;bis(2,5-di(propan-2-yl)-1H-imidazole);1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine;dihydrochloride?
The IUPAC name of 4-chloro-2-fluoro-1-propan-2-ylbenzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)furan;bis(2,5-di(propan-2-yl)-1H-imidazole);1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine;dihydrochloride (CID 160990691) is 4-chloro-2-fluoro-1-propan-2-ylbenzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)furan;bis(2,5-di(propan-2-yl)-1H-imidazole);1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine;dihydrochloride.
What is the SMILES notation for 4-chloro-2-fluoro-1-propan-2-ylbenzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)furan;bis(2,5-di(propan-2-yl)-1H-imidazole);1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine;dihydrochloride?
The canonical SMILES for 4-chloro-2-fluoro-1-propan-2-ylbenzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)furan;bis(2,5-di(propan-2-yl)-1H-imidazole);1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine;dihydrochloride is CC(C)c1ccc(C(C)C)o1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C(F)(F)F)cc1F.CC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1ccc(Cl)cc1Cl.CC(C)c1ccc(Cl)cc1F.CC(C)c1ccc(F)cc1.CC(C)c1ccc(F)cc1F.CC(C)c1ccc[nH]1.CC(C)c1ccccc1.CC(C)c1ccccc1F.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccncc1.CC(C)c1cnc(C(C)C)[nH]1.CC(C)c1cnc(C(C)C)[nH]1.CC(C)c1cnc[nH]1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1ncccn1.Cc1ccc(C(C)C)[nH]1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)o1.Cc1ccc(C(C)C)s1.Cc1ncc(C(C)C)[nH]1.Cc1ncc(C(C)C)n1C.Cl.Cl.
What is the InChIKey of 4-chloro-2-fluoro-1-propan-2-ylbenzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)furan;bis(2,5-di(propan-2-yl)-1H-imidazole);1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine;dihydrochloride?
The InChIKey is WKMJMUQKXYWERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F4.C10H11F3.C10H16O.C10H14.C9H10Cl2.C9H10ClF.C9H10F3N.C9H10F2.2C9H11F.2C9H16N2.C9H13N.C9H12.C8H14N2.C8H13N.3C8H11N.C8H12O.C8H12S.C7H10N2.C7H12N2.2C7H10N2.C7H11N.C7H10O.C7H10S.C6H10N2.2ClH/c1-6(2)8-4-3-7(5-9(8)11)10(12,13)14;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-7(2)9-5-6-10(11-9)8(3)4;1-8(2)10-6-4-9(3)5-7-10;2*1-6(2)8-4-3-7(10)5-9(8)11;1-6(2)7-3-4-8(13-5-7)9(10,11)12;1-6(2)8-4-3-7(10)5-9(8)11;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-5-3-4-6-9(8)10;2*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;1-6(2)8-5-4-7(3)9-8;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;2*1-6(2)8-5-4-7(3)9-8;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;3*1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-4-8-6;;/h3-6H,1-2H3;3-7H,1-2H3;5-8H,1-4H3;4-8H,1-3H3;2*3-6H,1-2H3;3-6H,1-2H3;3-6H,1-2H3;2*3-7H,1-2H3;2*5-7H,1-4H3,(H,10,11);4-7H,1-3H3;3-8H,1-2H3;5-6H,1-4H3;4-6,9H,1-3H3;3*3-7H,1-2H3;2*4-6H,1-3H3;3-6H,1-2H3;4-5H,1-3H3,(H,8,9);2*3-6H,1-2H3;3-6,8H,1-2H3;2*3-6H,1-2H3;3-5H,1-2H3,(H,7,8);2*1H.
What are the key properties of 4-chloro-2-fluoro-1-propan-2-ylbenzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)furan;bis(2,5-di(propan-2-yl)-1H-imidazole);1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine;dihydrochloride?
4-chloro-2-fluoro-1-propan-2-ylbenzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)furan;bis(2,5-di(propan-2-yl)-1H-imidazole);1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine;dihydrochloride has a molecular weight of 4132.89 g/mol, XLogP of 78.24, 32 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-1-propan-2-ylbenzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)furan;bis(2,5-di(propan-2-yl)-1H-imidazole);1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine;dihydrochloride is sourced from PubChem (CID 160990691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).