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;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;3-methyl-1-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrolidin-2-one;1-methyl-4-propan-2-ylpyrrolidin-2-one;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylcyclohexan-1-ol;2-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;bis(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine

C308H457Cl3F11N25O6S3 — CID 160724075

IUPAC4-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;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;3-methyl-1-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrolidin-2-one;1-methyl-4-propan-2-ylpyrrolidin-2-one;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylcyclohexan-1-ol;2-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;bis(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine
SMILESCC(C)C1CC(=O)N(C)C1.CC(C)C1CCCCC1O.CC(C)C1CCN(C)C1=O.CC(C)c1ccc(C(C)C)[nH]1.CC(C)c1ccc(C(C)C)o1.CC(C)c1ccc(C(C)C)s1.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[nH]1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccn(C(C)C)c1.CC(C)c1ccncc1.CC(C)c1cnc(C(C)C)[nH]1.CC(C)c1cnc[nH]1.CC(C)c1ncccn1.CC(C)n1cccc1.Cc1cc(Cl)ccc1C(C)C.Cc1cc(F)ccc1C(C)C.Cc1ccc(C(C)C)[nH]1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)o1.Cc1ccc(C(C)C)s1.Cc1ccccc1C(C)C.Cc1ccn(C(C)C)c1.Cc1ncc(C(C)C)[nH]1.Cc1ncc(C(C)C)n1C
InChIInChI=1S/C10H13Cl.C10H10F4.C10H11F3.C10H13F.2C10H17N.C10H16O.C10H16S.3C10H14.C9H10Cl2.C9H10F3N.C9H16N2.C9H13N.C9H18O.C9H12.C8H14N2.2C8H15NO.2C8H13N.5C8H11N.C8H12O.C8H12S.C7H12N2.C7H10N2.2C7H11N.C7H10O.C7H10S.C6H10N2/c1-7(2)10-5-4-9(11)6-8(10)3;1-6(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)10-5-4-9(11)6-8(10)3;1-8(2)10-5-6-11(7-10)9(3)4;3*1-7(2)9-5-6-10(11-9)8(3)4;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)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)8-5-10-9(11-8)7(3)4;1-7(2)9-5-4-8(3)10-6-9;1-7(2)8-5-3-4-6-9(8)10;1-8(2)9-6-4-3-5-7-9;1-6(2)8-5-9-7(3)10(8)4;1-6(2)7-4-8(10)9(3)5-7;1-6(2)7-4-5-9(3)8(7)10;1-7(2)9-5-4-8(3)6-9;1-6(2)8-5-4-7(3)9-8;1-7(2)8-3-5-9-6-4-8;2*1-7(2)8-4-3-5-9-6-8;2*1-7(2)8-5-3-4-6-9-8;2*1-6(2)8-5-4-7(3)9-8;1-5(2)7-4-8-6(3)9-7;1-6(2)7-8-4-3-5-9-7;1-7(2)8-5-3-4-6-8;3*1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-4-8-6/h4-7H,1-3H3;3-6H,1-2H3;3-7H,1-2H3;4-7H,1-3H3;5-9H,1-4H3;5-8,11H,1-4H3;2*5-8H,1-4H3;3*4-8H,1-3H3;3-6H,1-2H3;3-6H,1-2H3;5-7H,1-4H3,(H,10,11);4-7H,1-3H3;7-10H,3-6H2,1-2H3;3-8H,1-2H3;5-6H,1-4H3;2*6-7H,4-5H2,1-3H3;4-7H,1-3H3;4-6,9H,1-3H3;5*3-7H,1-2H3;2*4-6H,1-3H3;4-5H,1-3H3,(H,8,9);3-6H,1-2H3;3-7H,1-2H3;3-6,8H,1-2H3;2*3-6H,1-2H3;3-5H,1-2H3,(H,7,8)
InChIKeyRTLZIVCELJRQJA-UHFFFAOYSA-N
MW5017.75 g/mol
LogP95.96
Rot. Bonds41

About 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;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;3-methyl-1-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrolidin-2-one;1-methyl-4-propan-2-ylpyrrolidin-2-one;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylcyclohexan-1-ol;2-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;bis(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine

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;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;3-methyl-1-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrolidin-2-one;1-methyl-4-propan-2-ylpyrrolidin-2-one;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylcyclohexan-1-ol;2-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;bis(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine (PubChem CID 160724075) has the molecular formula C308H457Cl3F11N25O6S3 and a molecular weight of 5017.75 g/mol. Its IUPAC name is 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;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;3-methyl-1-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrolidin-2-one;1-methyl-4-propan-2-ylpyrrolidin-2-one;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylcyclohexan-1-ol;2-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;bis(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-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;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;3-methyl-1-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrolidin-2-one;1-methyl-4-propan-2-ylpyrrolidin-2-one;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylcyclohexan-1-ol;2-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;bis(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine
PubChem CID160724075
Molecular FormulaC308H457Cl3F11N25O6S3
Molecular Weight5017.75 g/mol
Exact Mass5012.43
IUPAC Name4-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;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;3-methyl-1-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrolidin-2-one;1-methyl-4-propan-2-ylpyrrolidin-2-one;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylcyclohexan-1-ol;2-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;bis(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine
SMILESCC(C)C1CC(=O)N(C)C1.CC(C)C1CCCCC1O.CC(C)C1CCN(C)C1=O.CC(C)c1ccc(C(C)C)[nH]1.CC(C)c1ccc(C(C)C)o1.CC(C)c1ccc(C(C)C)s1.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[nH]1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccn(C(C)C)c1.CC(C)c1ccncc1.CC(C)c1cnc(C(C)C)[nH]1.CC(C)c1cnc[nH]1.CC(C)c1ncccn1.CC(C)n1cccc1.Cc1cc(Cl)ccc1C(C)C.Cc1cc(F)ccc1C(C)C.Cc1ccc(C(C)C)[nH]1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)o1.Cc1ccc(C(C)C)s1.Cc1ccccc1C(C)C.Cc1ccn(C(C)C)c1.Cc1ncc(C(C)C)[nH]1.Cc1ncc(C(C)C)n1C
InChIInChI=1S/C10H13Cl.C10H10F4.C10H11F3.C10H13F.2C10H17N.C10H16O.C10H16S.3C10H14.C9H10Cl2.C9H10F3N.C9H16N2.C9H13N.C9H18O.C9H12.C8H14N2.2C8H15NO.2C8H13N.5C8H11N.C8H12O.C8H12S.C7H12N2.C7H10N2.2C7H11N.C7H10O.C7H10S.C6H10N2/c1-7(2)10-5-4-9(11)6-8(10)3;1-6(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)10-5-4-9(11)6-8(10)3;1-8(2)10-5-6-11(7-10)9(3)4;3*1-7(2)9-5-6-10(11-9)8(3)4;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)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)8-5-10-9(11-8)7(3)4;1-7(2)9-5-4-8(3)10-6-9;1-7(2)8-5-3-4-6-9(8)10;1-8(2)9-6-4-3-5-7-9;1-6(2)8-5-9-7(3)10(8)4;1-6(2)7-4-8(10)9(3)5-7;1-6(2)7-4-5-9(3)8(7)10;1-7(2)9-5-4-8(3)6-9;1-6(2)8-5-4-7(3)9-8;1-7(2)8-3-5-9-6-4-8;2*1-7(2)8-4-3-5-9-6-8;2*1-7(2)8-5-3-4-6-9-8;2*1-6(2)8-5-4-7(3)9-8;1-5(2)7-4-8-6(3)9-7;1-6(2)7-8-4-3-5-9-7;1-7(2)8-5-3-4-6-8;3*1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-4-8-6/h4-7H,1-3H3;3-6H,1-2H3;3-7H,1-2H3;4-7H,1-3H3;5-9H,1-4H3;5-8,11H,1-4H3;2*5-8H,1-4H3;3*4-8H,1-3H3;3-6H,1-2H3;3-6H,1-2H3;5-7H,1-4H3,(H,10,11);4-7H,1-3H3;7-10H,3-6H2,1-2H3;3-8H,1-2H3;5-6H,1-4H3;2*6-7H,4-5H2,1-3H3;4-7H,1-3H3;4-6,9H,1-3H3;5*3-7H,1-2H3;2*4-6H,1-3H3;4-5H,1-3H3,(H,8,9);3-6H,1-2H3;3-7H,1-2H3;3-6,8H,1-2H3;2*3-6H,1-2H3;3-5H,1-2H3,(H,7,8)
InChIKeyRTLZIVCELJRQJA-UHFFFAOYSA-N
XLogP95.96
TPSA382.30 Ų
H-Bond Donors7
H-Bond Acceptors26
Rotatable Bonds41
Heavy Atoms356
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005017.75
LogP ≤ 595.96
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1026

Analyze 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;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;3-methyl-1-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrolidin-2-one;1-methyl-4-propan-2-ylpyrrolidin-2-one;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylcyclohexan-1-ol;2-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;bis(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine with MolForge

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What is the IUPAC name of 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;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;3-methyl-1-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrolidin-2-one;1-methyl-4-propan-2-ylpyrrolidin-2-one;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylcyclohexan-1-ol;2-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;bis(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine?
The IUPAC name of 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;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;3-methyl-1-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrolidin-2-one;1-methyl-4-propan-2-ylpyrrolidin-2-one;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylcyclohexan-1-ol;2-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;bis(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;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 160724075) is 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;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;3-methyl-1-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrolidin-2-one;1-methyl-4-propan-2-ylpyrrolidin-2-one;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylcyclohexan-1-ol;2-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;bis(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 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;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;3-methyl-1-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrolidin-2-one;1-methyl-4-propan-2-ylpyrrolidin-2-one;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylcyclohexan-1-ol;2-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;bis(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine?
The canonical SMILES for 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;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;3-methyl-1-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrolidin-2-one;1-methyl-4-propan-2-ylpyrrolidin-2-one;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylcyclohexan-1-ol;2-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;bis(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine is CC(C)C1CC(=O)N(C)C1.CC(C)C1CCCCC1O.CC(C)C1CCN(C)C1=O.CC(C)c1ccc(C(C)C)[nH]1.CC(C)c1ccc(C(C)C)o1.CC(C)c1ccc(C(C)C)s1.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[nH]1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccn(C(C)C)c1.CC(C)c1ccncc1.CC(C)c1cnc(C(C)C)[nH]1.CC(C)c1cnc[nH]1.CC(C)c1ncccn1.CC(C)n1cccc1.Cc1cc(Cl)ccc1C(C)C.Cc1cc(F)ccc1C(C)C.Cc1ccc(C(C)C)[nH]1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)o1.Cc1ccc(C(C)C)s1.Cc1ccccc1C(C)C.Cc1ccn(C(C)C)c1.Cc1ncc(C(C)C)[nH]1.Cc1ncc(C(C)C)n1C.
What is the InChIKey of 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;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;3-methyl-1-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrolidin-2-one;1-methyl-4-propan-2-ylpyrrolidin-2-one;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylcyclohexan-1-ol;2-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;bis(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine?
The InChIKey is RTLZIVCELJRQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl.C10H10F4.C10H11F3.C10H13F.2C10H17N.C10H16O.C10H16S.3C10H14.C9H10Cl2.C9H10F3N.C9H16N2.C9H13N.C9H18O.C9H12.C8H14N2.2C8H15NO.2C8H13N.5C8H11N.C8H12O.C8H12S.C7H12N2.C7H10N2.2C7H11N.C7H10O.C7H10S.C6H10N2/c1-7(2)10-5-4-9(11)6-8(10)3;1-6(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)10-5-4-9(11)6-8(10)3;1-8(2)10-5-6-11(7-10)9(3)4;3*1-7(2)9-5-6-10(11-9)8(3)4;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)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)8-5-10-9(11-8)7(3)4;1-7(2)9-5-4-8(3)10-6-9;1-7(2)8-5-3-4-6-9(8)10;1-8(2)9-6-4-3-5-7-9;1-6(2)8-5-9-7(3)10(8)4;1-6(2)7-4-8(10)9(3)5-7;1-6(2)7-4-5-9(3)8(7)10;1-7(2)9-5-4-8(3)6-9;1-6(2)8-5-4-7(3)9-8;1-7(2)8-3-5-9-6-4-8;2*1-7(2)8-4-3-5-9-6-8;2*1-7(2)8-5-3-4-6-9-8;2*1-6(2)8-5-4-7(3)9-8;1-5(2)7-4-8-6(3)9-7;1-6(2)7-8-4-3-5-9-7;1-7(2)8-5-3-4-6-8;3*1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-4-8-6/h4-7H,1-3H3;3-6H,1-2H3;3-7H,1-2H3;4-7H,1-3H3;5-9H,1-4H3;5-8,11H,1-4H3;2*5-8H,1-4H3;3*4-8H,1-3H3;3-6H,1-2H3;3-6H,1-2H3;5-7H,1-4H3,(H,10,11);4-7H,1-3H3;7-10H,3-6H2,1-2H3;3-8H,1-2H3;5-6H,1-4H3;2*6-7H,4-5H2,1-3H3;4-7H,1-3H3;4-6,9H,1-3H3;5*3-7H,1-2H3;2*4-6H,1-3H3;4-5H,1-3H3,(H,8,9);3-6H,1-2H3;3-7H,1-2H3;3-6,8H,1-2H3;2*3-6H,1-2H3;3-5H,1-2H3,(H,7,8).
What are the key properties of 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;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;3-methyl-1-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrolidin-2-one;1-methyl-4-propan-2-ylpyrrolidin-2-one;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylcyclohexan-1-ol;2-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;bis(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine?
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;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;3-methyl-1-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrolidin-2-one;1-methyl-4-propan-2-ylpyrrolidin-2-one;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylcyclohexan-1-ol;2-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;bis(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine has a molecular weight of 5017.75 g/mol, XLogP of 95.96, 41 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 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;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;3-methyl-1-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrolidin-2-one;1-methyl-4-propan-2-ylpyrrolidin-2-one;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylcyclohexan-1-ol;2-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;bis(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 160724075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).