tert-butylbenzene;bis(3,3-dimethylbutan-2-ylbenzene);2,2-dimethyl-1-phenylpropan-1-amine;2-(2,2-dimethyl-1-phenylpropyl)-1H-benzimidazole;2-(2,2-dimethyl-1-phenylpropyl)-1,3-benzothiazole;2-(2,2-dimethyl-1-phenylpropyl)-1,3-benzoxazole;2-(2,2-dimethyl-1-phenylpropyl)-3H-isoindol-1-one;1-(2,2-dimethyl-1-phenylpropyl)pyrrolidine;1-(2,2-dimethyl-1-phenylpropyl)pyrrolidin-2-one;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)-2,3-dihydro-1H-indene;1-(2,2-dimethylpropyl)-3-methylbenzene;2-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3H-isoindol-1-one

C204H264FN9O4S — CID 157494103

About tert-butylbenzene;bis(3,3-dimethylbutan-2-ylbenzene);2,2-dimethyl-1-phenylpropan-1-amine;2-(2,2-dimethyl-1-phenylpropyl)-1H-benzimidazole;2-(2,2-dimethyl-1-phenylpropyl)-1,3-benzothiazole;2-(2,2-dimethyl-1-phenylpropyl)-1,3-benzoxazole;2-(2,2-dimethyl-1-phenylpropyl)-3H-isoindol-1-one;1-(2,2-dimethyl-1-phenylpropyl)pyrrolidine;1-(2,2-dimethyl-1-phenylpropyl)pyrrolidin-2-one;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)-2,3-dihydro-1H-indene;1-(2,2-dimethylpropyl)-3-methylbenzene;2-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3H-isoindol-1-one

tert-butylbenzene;bis(3,3-dimethylbutan-2-ylbenzene);2,2-dimethyl-1-phenylpropan-1-amine;2-(2,2-dimethyl-1-phenylpropyl)-1H-benzimidazole;2-(2,2-dimethyl-1-phenylpropyl)-1,3-benzothiazole;2-(2,2-dimethyl-1-phenylpropyl)-1,3-benzoxazole;2-(2,2-dimethyl-1-phenylpropyl)-3H-isoindol-1-one;1-(2,2-dimethyl-1-phenylpropyl)pyrrolidine;1-(2,2-dimethyl-1-phenylpropyl)pyrrolidin-2-one;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)-2,3-dihydro-1H-indene;1-(2,2-dimethylpropyl)-3-methylbenzene;2-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3H-isoindol-1-one (PubChem CID 157494103) has the molecular formula C204H264FN9O4S and a molecular weight of 2957.48 g/mol. Its IUPAC name is tert-butylbenzene;bis(3,3-dimethylbutan-2-ylbenzene);2,2-dimethyl-1-phenylpropan-1-amine;2-(2,2-dimethyl-1-phenylpropyl)-1H-benzimidazole;2-(2,2-dimethyl-1-phenylpropyl)-1,3-benzothiazole;2-(2,2-dimethyl-1-phenylpropyl)-1,3-benzoxazole;2-(2,2-dimethyl-1-phenylpropyl)-3H-isoindol-1-one;1-(2,2-dimethyl-1-phenylpropyl)pyrrolidine;1-(2,2-dimethyl-1-phenylpropyl)pyrrolidin-2-one;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)-2,3-dihydro-1H-indene;1-(2,2-dimethylpropyl)-3-methylbenzene;2-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3H-isoindol-1-one.

Molecular Properties

• Compound Name: tert-butylbenzene;bis(3,3-dimethylbutan-2-ylbenzene);2,2-dimethyl-1-phenylpropan-1-amine;2-(2,2-dimethyl-1-phenylpropyl)-1H-benzimidazole;2-(2,2-dimethyl-1-phenylpropyl)-1,3-benzothiazole;2-(2,2-dimethyl-1-phenylpropyl)-1,3-benzoxazole;2-(2,2-dimethyl-1-phenylpropyl)-3H-isoindol-1-one;1-(2,2-dimethyl-1-phenylpropyl)pyrrolidine;1-(2,2-dimethyl-1-phenylpropyl)pyrrolidin-2-one;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)-2,3-dihydro-1H-indene;1-(2,2-dimethylpropyl)-3-methylbenzene;2-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3H-isoindol-1-one
• PubChem CID: 157494103
• Molecular Formula: C204H264FN9O4S
• Molecular Weight: 2957.48 g/mol
• Exact Mass: 2955.04
• IUPAC Name: tert-butylbenzene;bis(3,3-dimethylbutan-2-ylbenzene);2,2-dimethyl-1-phenylpropan-1-amine;2-(2,2-dimethyl-1-phenylpropyl)-1H-benzimidazole;2-(2,2-dimethyl-1-phenylpropyl)-1,3-benzothiazole;2-(2,2-dimethyl-1-phenylpropyl)-1,3-benzoxazole;2-(2,2-dimethyl-1-phenylpropyl)-3H-isoindol-1-one;1-(2,2-dimethyl-1-phenylpropyl)pyrrolidine;1-(2,2-dimethyl-1-phenylpropyl)pyrrolidin-2-one;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)-2,3-dihydro-1H-indene;1-(2,2-dimethylpropyl)-3-methylbenzene;2-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3H-isoindol-1-one
• SMILES: CC(C)(C)C(N)c1ccccc1.CC(C)(C)C(c1ccc(F)cc1)N1Cc2ccccc2C1=O.CC(C)(C)C(c1ccccc1)N1CCCC1.CC(C)(C)C(c1ccccc1)N1CCCC1=O.CC(C)(C)C(c1ccccc1)N1Cc2ccccc2C1=O.CC(C)(C)C(c1ccccc1)c1nc2ccccc2[nH]1.CC(C)(C)C(c1ccccc1)c1nc2ccccc2o1.CC(C)(C)C(c1ccccc1)c1nc2ccccc2s1.CC(C)(C)CC1Cc2ccccc2C1.CC(C)(C)Cc1ccccc1.CC(C)(C)c1ccccc1.CC(c1ccccc1)C(C)(C)C.CC(c1ccccc1)C(C)(C)C.Cc1cccc(CC(C)(C)C)c1
• InChI: InChI=1S/C19H20FNO.C19H21NO.C18H20N2.C18H19NO.C18H19NS.C15H21NO.C15H23N.C14H20.3C12H18.C11H17N.C11H16.C10H14/c1-19(2,3)17(13-8-10-15(20)11-9-13)21-12-14-6-4-5-7-16(14)18(21)22;1-19(2,3)17(14-9-5-4-6-10-14)20-13-15-11-7-8-12-16(15)18(20)21;3*1-18(2,3)16(13-9-5-4-6-10-13)17-19-14-11-7-8-12-15(14)20-17;1-15(2,3)14(12-8-5-4-6-9-12)16-11-7-10-13(16)17;1-15(2,3)14(16-11-7-8-12-16)13-9-5-4-6-10-13;1-14(2,3)10-11-8-12-6-4-5-7-13(12)9-11;1-10-6-5-7-11(8-10)9-12(2,3)4;2*1-10(12(2,3)4)11-8-6-5-7-9-11;1-11(2,3)10(12)9-7-5-4-6-8-9;1-11(2,3)9-10-7-5-4-6-8-10;1-10(2,3)9-7-5-4-6-8-9/h4-11,17H,12H2,1-3H3;4-12,17H,13H2,1-3H3;4-12,16H,1-3H3,(H,19,20);2*4-12,16H,1-3H3;4-6,8-9,14H,7,10-11H2,1-3H3;4-6,9-10,14H,7-8,11-12H2,1-3H3;4-7,11H,8-10H2,1-3H3;5-8H,9H2,1-4H3;2*5-10H,1-4H3;4-8,10H,12H2,1-3H3;4-8H,9H2,1-3H3;4-8H,1-3H3
• InChIKey: BXPRVVFPOUOXQD-UHFFFAOYSA-N
• XLogP: 55.57
• TPSA: 157.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 20
• Heavy Atoms: 219
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2957.48
LogP ≤ 5	55.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;bis(3,3-dimethylbutan-2-ylbenzene);2,2-dimethyl-1-phenylpropan-1-amine;2-(2,2-dimethyl-1-phenylpropyl)-1H-benzimidazole;2-(2,2-dimethyl-1-phenylpropyl)-1,3-benzothiazole;2-(2,2-dimethyl-1-phenylpropyl)-1,3-benzoxazole;2-(2,2-dimethyl-1-phenylpropyl)-3H-isoindol-1-one;1-(2,2-dimethyl-1-phenylpropyl)pyrrolidine;1-(2,2-dimethyl-1-phenylpropyl)pyrrolidin-2-one;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)-2,3-dihydro-1H-indene;1-(2,2-dimethylpropyl)-3-methylbenzene;2-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3H-isoindol-1-one?

The IUPAC name of tert-butylbenzene;bis(3,3-dimethylbutan-2-ylbenzene);2,2-dimethyl-1-phenylpropan-1-amine;2-(2,2-dimethyl-1-phenylpropyl)-1H-benzimidazole;2-(2,2-dimethyl-1-phenylpropyl)-1,3-benzothiazole;2-(2,2-dimethyl-1-phenylpropyl)-1,3-benzoxazole;2-(2,2-dimethyl-1-phenylpropyl)-3H-isoindol-1-one;1-(2,2-dimethyl-1-phenylpropyl)pyrrolidine;1-(2,2-dimethyl-1-phenylpropyl)pyrrolidin-2-one;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)-2,3-dihydro-1H-indene;1-(2,2-dimethylpropyl)-3-methylbenzene;2-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3H-isoindol-1-one (CID 157494103) is tert-butylbenzene;bis(3,3-dimethylbutan-2-ylbenzene);2,2-dimethyl-1-phenylpropan-1-amine;2-(2,2-dimethyl-1-phenylpropyl)-1H-benzimidazole;2-(2,2-dimethyl-1-phenylpropyl)-1,3-benzothiazole;2-(2,2-dimethyl-1-phenylpropyl)-1,3-benzoxazole;2-(2,2-dimethyl-1-phenylpropyl)-3H-isoindol-1-one;1-(2,2-dimethyl-1-phenylpropyl)pyrrolidine;1-(2,2-dimethyl-1-phenylpropyl)pyrrolidin-2-one;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)-2,3-dihydro-1H-indene;1-(2,2-dimethylpropyl)-3-methylbenzene;2-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3H-isoindol-1-one.

What is the SMILES notation for tert-butylbenzene;bis(3,3-dimethylbutan-2-ylbenzene);2,2-dimethyl-1-phenylpropan-1-amine;2-(2,2-dimethyl-1-phenylpropyl)-1H-benzimidazole;2-(2,2-dimethyl-1-phenylpropyl)-1,3-benzothiazole;2-(2,2-dimethyl-1-phenylpropyl)-1,3-benzoxazole;2-(2,2-dimethyl-1-phenylpropyl)-3H-isoindol-1-one;1-(2,2-dimethyl-1-phenylpropyl)pyrrolidine;1-(2,2-dimethyl-1-phenylpropyl)pyrrolidin-2-one;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)-2,3-dihydro-1H-indene;1-(2,2-dimethylpropyl)-3-methylbenzene;2-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3H-isoindol-1-one?

The canonical SMILES for tert-butylbenzene;bis(3,3-dimethylbutan-2-ylbenzene);2,2-dimethyl-1-phenylpropan-1-amine;2-(2,2-dimethyl-1-phenylpropyl)-1H-benzimidazole;2-(2,2-dimethyl-1-phenylpropyl)-1,3-benzothiazole;2-(2,2-dimethyl-1-phenylpropyl)-1,3-benzoxazole;2-(2,2-dimethyl-1-phenylpropyl)-3H-isoindol-1-one;1-(2,2-dimethyl-1-phenylpropyl)pyrrolidine;1-(2,2-dimethyl-1-phenylpropyl)pyrrolidin-2-one;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)-2,3-dihydro-1H-indene;1-(2,2-dimethylpropyl)-3-methylbenzene;2-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3H-isoindol-1-one is CC(C)(C)C(N)c1ccccc1.CC(C)(C)C(c1ccc(F)cc1)N1Cc2ccccc2C1=O.CC(C)(C)C(c1ccccc1)N1CCCC1.CC(C)(C)C(c1ccccc1)N1CCCC1=O.CC(C)(C)C(c1ccccc1)N1Cc2ccccc2C1=O.CC(C)(C)C(c1ccccc1)c1nc2ccccc2[nH]1.CC(C)(C)C(c1ccccc1)c1nc2ccccc2o1.CC(C)(C)C(c1ccccc1)c1nc2ccccc2s1.CC(C)(C)CC1Cc2ccccc2C1.CC(C)(C)Cc1ccccc1.CC(C)(C)c1ccccc1.CC(c1ccccc1)C(C)(C)C.CC(c1ccccc1)C(C)(C)C.Cc1cccc(CC(C)(C)C)c1.

What is the InChIKey of tert-butylbenzene;bis(3,3-dimethylbutan-2-ylbenzene);2,2-dimethyl-1-phenylpropan-1-amine;2-(2,2-dimethyl-1-phenylpropyl)-1H-benzimidazole;2-(2,2-dimethyl-1-phenylpropyl)-1,3-benzothiazole;2-(2,2-dimethyl-1-phenylpropyl)-1,3-benzoxazole;2-(2,2-dimethyl-1-phenylpropyl)-3H-isoindol-1-one;1-(2,2-dimethyl-1-phenylpropyl)pyrrolidine;1-(2,2-dimethyl-1-phenylpropyl)pyrrolidin-2-one;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)-2,3-dihydro-1H-indene;1-(2,2-dimethylpropyl)-3-methylbenzene;2-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3H-isoindol-1-one?

The InChIKey is BXPRVVFPOUOXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO.C19H21NO.C18H20N2.C18H19NO.C18H19NS.C15H21NO.C15H23N.C14H20.3C12H18.C11H17N.C11H16.C10H14/c1-19(2,3)17(13-8-10-15(20)11-9-13)21-12-14-6-4-5-7-16(14)18(21)22;1-19(2,3)17(14-9-5-4-6-10-14)20-13-15-11-7-8-12-16(15)18(20)21;3*1-18(2,3)16(13-9-5-4-6-10-13)17-19-14-11-7-8-12-15(14)20-17;1-15(2,3)14(12-8-5-4-6-9-12)16-11-7-10-13(16)17;1-15(2,3)14(16-11-7-8-12-16)13-9-5-4-6-10-13;1-14(2,3)10-11-8-12-6-4-5-7-13(12)9-11;1-10-6-5-7-11(8-10)9-12(2,3)4;2*1-10(12(2,3)4)11-8-6-5-7-9-11;1-11(2,3)10(12)9-7-5-4-6-8-9;1-11(2,3)9-10-7-5-4-6-8-10;1-10(2,3)9-7-5-4-6-8-9/h4-11,17H,12H2,1-3H3;4-12,17H,13H2,1-3H3;4-12,16H,1-3H3,(H,19,20);2*4-12,16H,1-3H3;4-6,8-9,14H,7,10-11H2,1-3H3;4-6,9-10,14H,7-8,11-12H2,1-3H3;4-7,11H,8-10H2,1-3H3;5-8H,9H2,1-4H3;2*5-10H,1-4H3;4-8,10H,12H2,1-3H3;4-8H,9H2,1-3H3;4-8H,1-3H3.

What are the key properties of tert-butylbenzene;bis(3,3-dimethylbutan-2-ylbenzene);2,2-dimethyl-1-phenylpropan-1-amine;2-(2,2-dimethyl-1-phenylpropyl)-1H-benzimidazole;2-(2,2-dimethyl-1-phenylpropyl)-1,3-benzothiazole;2-(2,2-dimethyl-1-phenylpropyl)-1,3-benzoxazole;2-(2,2-dimethyl-1-phenylpropyl)-3H-isoindol-1-one;1-(2,2-dimethyl-1-phenylpropyl)pyrrolidine;1-(2,2-dimethyl-1-phenylpropyl)pyrrolidin-2-one;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)-2,3-dihydro-1H-indene;1-(2,2-dimethylpropyl)-3-methylbenzene;2-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3H-isoindol-1-one?

tert-butylbenzene;bis(3,3-dimethylbutan-2-ylbenzene);2,2-dimethyl-1-phenylpropan-1-amine;2-(2,2-dimethyl-1-phenylpropyl)-1H-benzimidazole;2-(2,2-dimethyl-1-phenylpropyl)-1,3-benzothiazole;2-(2,2-dimethyl-1-phenylpropyl)-1,3-benzoxazole;2-(2,2-dimethyl-1-phenylpropyl)-3H-isoindol-1-one;1-(2,2-dimethyl-1-phenylpropyl)pyrrolidine;1-(2,2-dimethyl-1-phenylpropyl)pyrrolidin-2-one;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)-2,3-dihydro-1H-indene;1-(2,2-dimethylpropyl)-3-methylbenzene;2-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3H-isoindol-1-one has a molecular weight of 2957.48 g/mol, XLogP of 55.57, 20 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butylbenzene;bis(3,3-dimethylbutan-2-ylbenzene);2,2-dimethyl-1-phenylpropan-1-amine;2-(2,2-dimethyl-1-phenylpropyl)-1H-benzimidazole;2-(2,2-dimethyl-1-phenylpropyl)-1,3-benzothiazole;2-(2,2-dimethyl-1-phenylpropyl)-1,3-benzoxazole;2-(2,2-dimethyl-1-phenylpropyl)-3H-isoindol-1-one;1-(2,2-dimethyl-1-phenylpropyl)pyrrolidine;1-(2,2-dimethyl-1-phenylpropyl)pyrrolidin-2-one;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)-2,3-dihydro-1H-indene;1-(2,2-dimethylpropyl)-3-methylbenzene;2-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3H-isoindol-1-one is sourced from PubChem (CID 157494103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).