2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;3-propan-2-ylcinnoline;1-propan-2-yl-3,4-dihydro-2H-1,8-naphthyridine;4-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylisoindole-1,3-dione;2-propan-2-yl-3H-isoindol-1-one;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;2-propan-2-yl-1,5-naphthyridine;2-propan-2-yl-1,8-naphthyridine;2-propan-2-ylpteridine;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylquinazoline;2-propan-2-ylquinoline;2-propan-2-ylquinoxaline

C203H235N33O5S — CID 157265838

About 2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;3-propan-2-ylcinnoline;1-propan-2-yl-3,4-dihydro-2H-1,8-naphthyridine;4-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylisoindole-1,3-dione;2-propan-2-yl-3H-isoindol-1-one;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;2-propan-2-yl-1,5-naphthyridine;2-propan-2-yl-1,8-naphthyridine;2-propan-2-ylpteridine;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylquinazoline;2-propan-2-ylquinoline;2-propan-2-ylquinoxaline

2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;3-propan-2-ylcinnoline;1-propan-2-yl-3,4-dihydro-2H-1,8-naphthyridine;4-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylisoindole-1,3-dione;2-propan-2-yl-3H-isoindol-1-one;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;2-propan-2-yl-1,5-naphthyridine;2-propan-2-yl-1,8-naphthyridine;2-propan-2-ylpteridine;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylquinazoline;2-propan-2-ylquinoline;2-propan-2-ylquinoxaline (PubChem CID 157265838) has the molecular formula C203H235N33O5S and a molecular weight of 3249.41 g/mol. Its IUPAC name is 2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;3-propan-2-ylcinnoline;1-propan-2-yl-3,4-dihydro-2H-1,8-naphthyridine;4-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylisoindole-1,3-dione;2-propan-2-yl-3H-isoindol-1-one;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;2-propan-2-yl-1,5-naphthyridine;2-propan-2-yl-1,8-naphthyridine;2-propan-2-ylpteridine;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylquinazoline;2-propan-2-ylquinoline;2-propan-2-ylquinoxaline.

Molecular Properties

• Compound Name: 2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;3-propan-2-ylcinnoline;1-propan-2-yl-3,4-dihydro-2H-1,8-naphthyridine;4-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylisoindole-1,3-dione;2-propan-2-yl-3H-isoindol-1-one;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;2-propan-2-yl-1,5-naphthyridine;2-propan-2-yl-1,8-naphthyridine;2-propan-2-ylpteridine;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylquinazoline;2-propan-2-ylquinoline;2-propan-2-ylquinoxaline
• PubChem CID: 157265838
• Molecular Formula: C203H235N33O5S
• Molecular Weight: 3249.41 g/mol
• Exact Mass: 3246.89
• IUPAC Name: 2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;3-propan-2-ylcinnoline;1-propan-2-yl-3,4-dihydro-2H-1,8-naphthyridine;4-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylisoindole-1,3-dione;2-propan-2-yl-3H-isoindol-1-one;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;2-propan-2-yl-1,5-naphthyridine;2-propan-2-yl-1,8-naphthyridine;2-propan-2-ylpteridine;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylquinazoline;2-propan-2-ylquinoline;2-propan-2-ylquinoxaline
• SMILES: CC(C)N1C(=O)c2ccccc2C1=O.CC(C)N1CCCc2cccnc21.CC(C)N1CCOc2cccnc21.CC(C)N1CCc2cccnc21.CC(C)N1Cc2ccccc2C1=O.CC(C)c1cc2ccccc2cn1.CC(C)c1cc2ccccc2nn1.CC(C)c1cc2ccccn2n1.CC(C)c1ccc2ccccc2n1.CC(C)c1ccc2cccnc2n1.CC(C)c1ccc2ncccc2n1.CC(C)c1cn2ccccc2n1.CC(C)c1cnc2ccccc2n1.CC(C)c1nc2ccccc2[nH]1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2s1.CC(C)c1ncc2ccccc2n1.CC(C)c1ncc2nccnc2n1.CC(C)c1nccc2ccccc12
• InChI: InChI=1S/3C12H13N.C11H16N2.5C11H12N2.C11H11NO2.C11H13NO.C10H14N2O.C10H14N2.3C10H12N2.C10H11NO.C10H11NS.C9H10N4/c1-9(2)12-7-10-5-3-4-6-11(10)8-13-12;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-9(2)12-11-6-4-3-5-10(11)7-8-13-12;1-9(2)13-8-4-6-10-5-3-7-12-11(10)13;1-8(2)9-5-6-10-11(13-9)4-3-7-12-10;1-8(2)10-6-5-9-4-3-7-12-11(9)13-10;1-8(2)11-7-12-9-5-3-4-6-10(9)13-11;1-8(2)11-12-7-9-5-3-4-6-10(9)13-11;1-8(2)11-7-9-5-3-4-6-10(9)12-13-11;1-7(2)12-10(13)8-5-3-4-6-9(8)11(12)14;1-8(2)12-7-9-5-3-4-6-10(9)11(12)13;1-8(2)12-6-7-13-9-4-3-5-11-10(9)12;1-8(2)12-7-5-9-4-3-6-11-10(9)12;1-8(2)9-7-12-6-4-3-5-10(12)11-9;1-8(2)10-7-9-5-3-4-6-12(9)11-10;3*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-6(2)8-12-5-7-9(13-8)11-4-3-10-7/h3*3-9H,1-2H3;3,5,7,9H,4,6,8H2,1-2H3;5*3-8H,1-2H3;3-7H,1-2H3;3-6,8H,7H2,1-2H3;3-5,8H,6-7H2,1-2H3;3-4,6,8H,5,7H2,1-2H3;2*3-8H,1-2H3;3-7H,1-2H3,(H,11,12);2*3-7H,1-2H3;3-6H,1-2H3
• InChIKey: AXZGKTZMYQREPP-UHFFFAOYSA-N
• XLogP: 48.88
• TPSA: 436.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 36
• Rotatable Bonds: 19
• Heavy Atoms: 242
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3249.41
LogP ≤ 5	48.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;3-propan-2-ylcinnoline;1-propan-2-yl-3,4-dihydro-2H-1,8-naphthyridine;4-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylisoindole-1,3-dione;2-propan-2-yl-3H-isoindol-1-one;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;2-propan-2-yl-1,5-naphthyridine;2-propan-2-yl-1,8-naphthyridine;2-propan-2-ylpteridine;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylquinazoline;2-propan-2-ylquinoline;2-propan-2-ylquinoxaline?

The IUPAC name of 2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;3-propan-2-ylcinnoline;1-propan-2-yl-3,4-dihydro-2H-1,8-naphthyridine;4-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylisoindole-1,3-dione;2-propan-2-yl-3H-isoindol-1-one;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;2-propan-2-yl-1,5-naphthyridine;2-propan-2-yl-1,8-naphthyridine;2-propan-2-ylpteridine;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylquinazoline;2-propan-2-ylquinoline;2-propan-2-ylquinoxaline (CID 157265838) is 2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;3-propan-2-ylcinnoline;1-propan-2-yl-3,4-dihydro-2H-1,8-naphthyridine;4-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylisoindole-1,3-dione;2-propan-2-yl-3H-isoindol-1-one;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;2-propan-2-yl-1,5-naphthyridine;2-propan-2-yl-1,8-naphthyridine;2-propan-2-ylpteridine;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylquinazoline;2-propan-2-ylquinoline;2-propan-2-ylquinoxaline.

What is the SMILES notation for 2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;3-propan-2-ylcinnoline;1-propan-2-yl-3,4-dihydro-2H-1,8-naphthyridine;4-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylisoindole-1,3-dione;2-propan-2-yl-3H-isoindol-1-one;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;2-propan-2-yl-1,5-naphthyridine;2-propan-2-yl-1,8-naphthyridine;2-propan-2-ylpteridine;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylquinazoline;2-propan-2-ylquinoline;2-propan-2-ylquinoxaline?

The canonical SMILES for 2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;3-propan-2-ylcinnoline;1-propan-2-yl-3,4-dihydro-2H-1,8-naphthyridine;4-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylisoindole-1,3-dione;2-propan-2-yl-3H-isoindol-1-one;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;2-propan-2-yl-1,5-naphthyridine;2-propan-2-yl-1,8-naphthyridine;2-propan-2-ylpteridine;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylquinazoline;2-propan-2-ylquinoline;2-propan-2-ylquinoxaline is CC(C)N1C(=O)c2ccccc2C1=O.CC(C)N1CCCc2cccnc21.CC(C)N1CCOc2cccnc21.CC(C)N1CCc2cccnc21.CC(C)N1Cc2ccccc2C1=O.CC(C)c1cc2ccccc2cn1.CC(C)c1cc2ccccc2nn1.CC(C)c1cc2ccccn2n1.CC(C)c1ccc2ccccc2n1.CC(C)c1ccc2cccnc2n1.CC(C)c1ccc2ncccc2n1.CC(C)c1cn2ccccc2n1.CC(C)c1cnc2ccccc2n1.CC(C)c1nc2ccccc2[nH]1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2s1.CC(C)c1ncc2ccccc2n1.CC(C)c1ncc2nccnc2n1.CC(C)c1nccc2ccccc12.

What is the InChIKey of 2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;3-propan-2-ylcinnoline;1-propan-2-yl-3,4-dihydro-2H-1,8-naphthyridine;4-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylisoindole-1,3-dione;2-propan-2-yl-3H-isoindol-1-one;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;2-propan-2-yl-1,5-naphthyridine;2-propan-2-yl-1,8-naphthyridine;2-propan-2-ylpteridine;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylquinazoline;2-propan-2-ylquinoline;2-propan-2-ylquinoxaline?

The InChIKey is AXZGKTZMYQREPP-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H13N.C11H16N2.5C11H12N2.C11H11NO2.C11H13NO.C10H14N2O.C10H14N2.3C10H12N2.C10H11NO.C10H11NS.C9H10N4/c1-9(2)12-7-10-5-3-4-6-11(10)8-13-12;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-9(2)12-11-6-4-3-5-10(11)7-8-13-12;1-9(2)13-8-4-6-10-5-3-7-12-11(10)13;1-8(2)9-5-6-10-11(13-9)4-3-7-12-10;1-8(2)10-6-5-9-4-3-7-12-11(9)13-10;1-8(2)11-7-12-9-5-3-4-6-10(9)13-11;1-8(2)11-12-7-9-5-3-4-6-10(9)13-11;1-8(2)11-7-9-5-3-4-6-10(9)12-13-11;1-7(2)12-10(13)8-5-3-4-6-9(8)11(12)14;1-8(2)12-7-9-5-3-4-6-10(9)11(12)13;1-8(2)12-6-7-13-9-4-3-5-11-10(9)12;1-8(2)12-7-5-9-4-3-6-11-10(9)12;1-8(2)9-7-12-6-4-3-5-10(12)11-9;1-8(2)10-7-9-5-3-4-6-12(9)11-10;3*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-6(2)8-12-5-7-9(13-8)11-4-3-10-7/h3*3-9H,1-2H3;3,5,7,9H,4,6,8H2,1-2H3;5*3-8H,1-2H3;3-7H,1-2H3;3-6,8H,7H2,1-2H3;3-5,8H,6-7H2,1-2H3;3-4,6,8H,5,7H2,1-2H3;2*3-8H,1-2H3;3-7H,1-2H3,(H,11,12);2*3-7H,1-2H3;3-6H,1-2H3.

What are the key properties of 2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;3-propan-2-ylcinnoline;1-propan-2-yl-3,4-dihydro-2H-1,8-naphthyridine;4-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylisoindole-1,3-dione;2-propan-2-yl-3H-isoindol-1-one;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;2-propan-2-yl-1,5-naphthyridine;2-propan-2-yl-1,8-naphthyridine;2-propan-2-ylpteridine;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylquinazoline;2-propan-2-ylquinoline;2-propan-2-ylquinoxaline?

2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;3-propan-2-ylcinnoline;1-propan-2-yl-3,4-dihydro-2H-1,8-naphthyridine;4-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylisoindole-1,3-dione;2-propan-2-yl-3H-isoindol-1-one;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;2-propan-2-yl-1,5-naphthyridine;2-propan-2-yl-1,8-naphthyridine;2-propan-2-ylpteridine;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylquinazoline;2-propan-2-ylquinoline;2-propan-2-ylquinoxaline has a molecular weight of 3249.41 g/mol, XLogP of 48.88, 19 rotatable bonds, 1 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;3-propan-2-ylcinnoline;1-propan-2-yl-3,4-dihydro-2H-1,8-naphthyridine;4-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylisoindole-1,3-dione;2-propan-2-yl-3H-isoindol-1-one;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;2-propan-2-yl-1,5-naphthyridine;2-propan-2-yl-1,8-naphthyridine;2-propan-2-ylpteridine;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylquinazoline;2-propan-2-ylquinoline;2-propan-2-ylquinoxaline is sourced from PubChem (CID 157265838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).