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

C235H340Cl2F10N16O3 — CID 158746608

IUPAC4-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
SMILESC.C.C.C.CC(C)C1=CC=CC1.CC(C)C1=CN=CC1.CC(C)c1ccc(C(C)C)[nH]1.CC(C)c1ccc(C(C)C)o1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1ccncc1.CC(C)c1cnc(C(C)C)[nH]1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1ncccn1.CC1=CC=C(C(C)C)C1.CC1=NC=C(C(C)C)C1.Cc1cc(Cl)ccc1C(C)C.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)o1.Cc1ccc(C(F)(F)F)cc1C.Cc1ccc(Cl)cc1C.Cc1ccc(F)cc1C.Cc1ccccc1C.Cc1ncc(C(C)C)n1C
InChIInChI=1S/C10H13Cl.2C10H11F3.C10H17N.C10H16O.3C10H14.C9H9F3.C9H16N2.C9H14.C9H12.C8H9Cl.C8H9F.C8H14N2.C8H13N.3C8H11N.C8H12O.C8H10.C8H12.3C7H10N2.C7H11N.C7H10O.4CH4/c1-7(2)10-5-4-9(11)6-8(10)3;2*1-7(2)8-3-5-9(6-4-8)10(11,12)13;2*1-7(2)9-5-6-10(11-9)8(3)4;3*1-8(2)10-6-4-9(3)5-7-10;1-6-3-4-8(5-7(6)2)9(10,11)12;1-6(2)8-5-10-9(11-8)7(3)4;1-7(2)9-5-4-8(3)6-9;1-8(2)9-6-4-3-5-7-9;2*1-6-3-4-8(9)5-7(6)2;1-6(2)8-5-9-7(3)10(8)4;1-6(2)8-4-7(3)9-5-8;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;1-6(2)8-5-4-7(3)9-8;1-7-5-3-4-6-8(7)2;1-7(2)8-5-3-4-6-8;1-6(2)7-3-8-5-9-4-7;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;1-6(2)7-4-3-5-8-7;;;;/h4-7H,1-3H3;2*3-7H,1-2H3;5-8,11H,1-4H3;5-8H,1-4H3;3*4-8H,1-3H3;3-5H,1-2H3;5-7H,1-4H3,(H,10,11);4-5,7H,6H2,1-3H3;3-8H,1-2H3;2*3-5H,1-2H3;5-6H,1-4H3;5-6H,4H2,1-3H3;3*3-7H,1-2H3;4-6H,1-3H3;3-6H,1-2H3;3-5,7H,6H2,1-2H3;3*3-6H,1-2H3;4-6H,3H2,1-2H3;3-6H,1-2H3;4*1H4
InChIKeyIMYRTHGYCJLILN-UHFFFAOYSA-N
MW3698.30 g/mol
LogP74.83
Rot. Bonds26

About 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

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 (PubChem CID 158746608) has the molecular formula C235H340Cl2F10N16O3 and a molecular weight of 3698.30 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID158746608
Molecular FormulaC235H340Cl2F10N16O3
Molecular Weight3698.30 g/mol
Exact Mass3694.62
IUPAC Name4-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
SMILESC.C.C.C.CC(C)C1=CC=CC1.CC(C)C1=CN=CC1.CC(C)c1ccc(C(C)C)[nH]1.CC(C)c1ccc(C(C)C)o1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1ccncc1.CC(C)c1cnc(C(C)C)[nH]1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1ncccn1.CC1=CC=C(C(C)C)C1.CC1=NC=C(C(C)C)C1.Cc1cc(Cl)ccc1C(C)C.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)o1.Cc1ccc(C(F)(F)F)cc1C.Cc1ccc(Cl)cc1C.Cc1ccc(F)cc1C.Cc1ccccc1C.Cc1ncc(C(C)C)n1C
InChIInChI=1S/C10H13Cl.2C10H11F3.C10H17N.C10H16O.3C10H14.C9H9F3.C9H16N2.C9H14.C9H12.C8H9Cl.C8H9F.C8H14N2.C8H13N.3C8H11N.C8H12O.C8H10.C8H12.3C7H10N2.C7H11N.C7H10O.4CH4/c1-7(2)10-5-4-9(11)6-8(10)3;2*1-7(2)8-3-5-9(6-4-8)10(11,12)13;2*1-7(2)9-5-6-10(11-9)8(3)4;3*1-8(2)10-6-4-9(3)5-7-10;1-6-3-4-8(5-7(6)2)9(10,11)12;1-6(2)8-5-10-9(11-8)7(3)4;1-7(2)9-5-4-8(3)6-9;1-8(2)9-6-4-3-5-7-9;2*1-6-3-4-8(9)5-7(6)2;1-6(2)8-5-9-7(3)10(8)4;1-6(2)8-4-7(3)9-5-8;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;1-6(2)8-5-4-7(3)9-8;1-7-5-3-4-6-8(7)2;1-7(2)8-5-3-4-6-8;1-6(2)7-3-8-5-9-4-7;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;1-6(2)7-4-3-5-8-7;;;;/h4-7H,1-3H3;2*3-7H,1-2H3;5-8,11H,1-4H3;5-8H,1-4H3;3*4-8H,1-3H3;3-5H,1-2H3;5-7H,1-4H3,(H,10,11);4-5,7H,6H2,1-3H3;3-8H,1-2H3;2*3-5H,1-2H3;5-6H,1-4H3;5-6H,4H2,1-3H3;3*3-7H,1-2H3;4-6H,1-3H3;3-6H,1-2H3;3-5,7H,6H2,1-2H3;3*3-6H,1-2H3;4-6H,3H2,1-2H3;3-6H,1-2H3;4*1H4
InChIKeyIMYRTHGYCJLILN-UHFFFAOYSA-N
XLogP74.83
TPSA242.44 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds26
Heavy Atoms266
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003698.30
LogP ≤ 574.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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
bis(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)furan;2,4-di(propan-2-yl)-3H-pyrrole;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;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;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;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;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine
CID 160480925
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;2,5-di(propan-2-yl)-1H-pyrrole;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylcyclopenta-1,3-diene);2-methyl-4-propan-2-yl-3H-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;4-propan-2-yl-3H-pyrrole;bis(1-propan-2-yl-4-(trifluoromethyl)benzene)
CID 160680912
CID 160724075
CID 160724075
CID 160747097
CID 160747097
4-chloro-2-methyl-1-propan-2-ylbenzene;cumene;2,4-dichloro-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;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;bis(1-methyl-4-propan-2-ylbenzene);tris(1-methyl-4-propan-2-ylcyclopenta-1,3-diene);2-methyl-5-propan-2-ylpyridine;2-methyl-4-propan-2-yl-3H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;tris(1-propan-2-ylcyclopenta-1,3-diene);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;1-propan-2-ylpyrrole;bis(1-propan-2-yl-4-(trifluoromethyl)benzene)
CID 160885564
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.C.C.C.CC(C)C1=CC=CC1.CC(C)C1=CN=CC1.CC(C)c1ccc(C(C)C)[nH]1.CC(C)c1ccc(C(C)C)o1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1ccncc1.CC(C)c1cnc(C(C)C)[nH]1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1ncccn1.CC1=CC=C(C(C)C)C1.CC1=NC=C(C(C)C)C1.Cc1cc(Cl)ccc1C(C)C.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)o1.Cc1ccc(C(F)(F)F)cc1C.Cc1ccc(Cl)cc1C.Cc1ccc(F)cc1C.Cc1ccccc1C.Cc1ncc(C(C)C)n1C.
What is the InChIKey of 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?
The InChIKey is IMYRTHGYCJLILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl.2C10H11F3.C10H17N.C10H16O.3C10H14.C9H9F3.C9H16N2.C9H14.C9H12.C8H9Cl.C8H9F.C8H14N2.C8H13N.3C8H11N.C8H12O.C8H10.C8H12.3C7H10N2.C7H11N.C7H10O.4CH4/c1-7(2)10-5-4-9(11)6-8(10)3;2*1-7(2)8-3-5-9(6-4-8)10(11,12)13;2*1-7(2)9-5-6-10(11-9)8(3)4;3*1-8(2)10-6-4-9(3)5-7-10;1-6-3-4-8(5-7(6)2)9(10,11)12;1-6(2)8-5-10-9(11-8)7(3)4;1-7(2)9-5-4-8(3)6-9;1-8(2)9-6-4-3-5-7-9;2*1-6-3-4-8(9)5-7(6)2;1-6(2)8-5-9-7(3)10(8)4;1-6(2)8-4-7(3)9-5-8;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;1-6(2)8-5-4-7(3)9-8;1-7-5-3-4-6-8(7)2;1-7(2)8-5-3-4-6-8;1-6(2)7-3-8-5-9-4-7;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;1-6(2)7-4-3-5-8-7;;;;/h4-7H,1-3H3;2*3-7H,1-2H3;5-8,11H,1-4H3;5-8H,1-4H3;3*4-8H,1-3H3;3-5H,1-2H3;5-7H,1-4H3,(H,10,11);4-5,7H,6H2,1-3H3;3-8H,1-2H3;2*3-5H,1-2H3;5-6H,1-4H3;5-6H,4H2,1-3H3;3*3-7H,1-2H3;4-6H,1-3H3;3-6H,1-2H3;3-5,7H,6H2,1-2H3;3*3-6H,1-2H3;4-6H,3H2,1-2H3;3-6H,1-2H3;4*1H4.
What are the key properties of 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?
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 has a molecular weight of 3698.30 g/mol, XLogP of 74.83, 26 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158746608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).