4-chloro-5-propan-2-yl-1H-indole;methane;2-methylidene-6-propan-2-yl-3H-1,3-benzothiazole;2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methyl-6-propan-2-yl-2,3-dihydro-1,3-benzothiazole;7-methyl-5-propan-2-yl-1H-indole;bis(6-propan-2-yl-1H-benzimidazole);4-propan-2-yl-2H-pyrrole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine

C106H134ClN13OS2 — CID 160695647

About 4-chloro-5-propan-2-yl-1H-indole;methane;2-methylidene-6-propan-2-yl-3H-1,3-benzothiazole;2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methyl-6-propan-2-yl-2,3-dihydro-1,3-benzothiazole;7-methyl-5-propan-2-yl-1H-indole;bis(6-propan-2-yl-1H-benzimidazole);4-propan-2-yl-2H-pyrrole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine

4-chloro-5-propan-2-yl-1H-indole;methane;2-methylidene-6-propan-2-yl-3H-1,3-benzothiazole;2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methyl-6-propan-2-yl-2,3-dihydro-1,3-benzothiazole;7-methyl-5-propan-2-yl-1H-indole;bis(6-propan-2-yl-1H-benzimidazole);4-propan-2-yl-2H-pyrrole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 160695647) has the molecular formula C106H134ClN13OS2 and a molecular weight of 1705.91 g/mol. Its IUPAC name is 4-chloro-5-propan-2-yl-1H-indole;methane;2-methylidene-6-propan-2-yl-3H-1,3-benzothiazole;2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methyl-6-propan-2-yl-2,3-dihydro-1,3-benzothiazole;7-methyl-5-propan-2-yl-1H-indole;bis(6-propan-2-yl-1H-benzimidazole);4-propan-2-yl-2H-pyrrole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: 4-chloro-5-propan-2-yl-1H-indole;methane;2-methylidene-6-propan-2-yl-3H-1,3-benzothiazole;2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methyl-6-propan-2-yl-2,3-dihydro-1,3-benzothiazole;7-methyl-5-propan-2-yl-1H-indole;bis(6-propan-2-yl-1H-benzimidazole);4-propan-2-yl-2H-pyrrole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
• PubChem CID: 160695647
• Molecular Formula: C106H134ClN13OS2
• Molecular Weight: 1705.91 g/mol
• Exact Mass: 1704.00
• IUPAC Name: 4-chloro-5-propan-2-yl-1H-indole;methane;2-methylidene-6-propan-2-yl-3H-1,3-benzothiazole;2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methyl-6-propan-2-yl-2,3-dihydro-1,3-benzothiazole;7-methyl-5-propan-2-yl-1H-indole;bis(6-propan-2-yl-1H-benzimidazole);4-propan-2-yl-2H-pyrrole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
• SMILES: C.C=C1Cc2cc(C(C)C)ccc2N1.C=C1Nc2ccc(C(C)C)cc2O1.C=C1Nc2ccc(C(C)C)cc2S1.CC(C)C1=CCN=C1.CC(C)c1ccc2[nH]ccc2c1Cl.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1cnc2[nH]ccc2c1.CC1Nc2ccc(C(C)C)cc2S1.Cc1cc(C(C)C)cc2cc[nH]c12
• InChI: InChI=1S/2C12H15N.C11H12ClN.C11H13NO.C11H15NS.C11H13NS.3C10H12N2.C7H11N.CH4/c1-8(2)11-6-9(3)12-10(7-11)4-5-13-12;1-8(2)10-4-5-12-11(7-10)6-9(3)13-12;1-7(2)8-3-4-10-9(11(8)12)5-6-13-10;3*1-7(2)9-4-5-10-11(6-9)13-8(3)12-10;1-7(2)9-5-8-3-4-11-10(8)12-6-9;2*1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-6(2)7-3-4-8-5-7;/h4-8,13H,1-3H3;4-5,7-8,13H,3,6H2,1-2H3;3-7,13H,1-2H3;4-7,12H,3H2,1-2H3;4-8,12H,1-3H3;4-7,12H,3H2,1-2H3;3*3-7H,1-2H3,(H,11,12);3,5-6H,4H2,1-2H3;1H4
• InChIKey: RPYQCRKURUBRDW-UHFFFAOYSA-N
• XLogP: 31.74
• TPSA: 187.33 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1705.91
LogP ≤ 5	31.74
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-propan-2-yl-1H-indole;methane;2-methylidene-6-propan-2-yl-3H-1,3-benzothiazole;2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methyl-6-propan-2-yl-2,3-dihydro-1,3-benzothiazole;7-methyl-5-propan-2-yl-1H-indole;bis(6-propan-2-yl-1H-benzimidazole);4-propan-2-yl-2H-pyrrole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine?

The IUPAC name of 4-chloro-5-propan-2-yl-1H-indole;methane;2-methylidene-6-propan-2-yl-3H-1,3-benzothiazole;2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methyl-6-propan-2-yl-2,3-dihydro-1,3-benzothiazole;7-methyl-5-propan-2-yl-1H-indole;bis(6-propan-2-yl-1H-benzimidazole);4-propan-2-yl-2H-pyrrole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine (CID 160695647) is 4-chloro-5-propan-2-yl-1H-indole;methane;2-methylidene-6-propan-2-yl-3H-1,3-benzothiazole;2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methyl-6-propan-2-yl-2,3-dihydro-1,3-benzothiazole;7-methyl-5-propan-2-yl-1H-indole;bis(6-propan-2-yl-1H-benzimidazole);4-propan-2-yl-2H-pyrrole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine.

What is the SMILES notation for 4-chloro-5-propan-2-yl-1H-indole;methane;2-methylidene-6-propan-2-yl-3H-1,3-benzothiazole;2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methyl-6-propan-2-yl-2,3-dihydro-1,3-benzothiazole;7-methyl-5-propan-2-yl-1H-indole;bis(6-propan-2-yl-1H-benzimidazole);4-propan-2-yl-2H-pyrrole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine?

The canonical SMILES for 4-chloro-5-propan-2-yl-1H-indole;methane;2-methylidene-6-propan-2-yl-3H-1,3-benzothiazole;2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methyl-6-propan-2-yl-2,3-dihydro-1,3-benzothiazole;7-methyl-5-propan-2-yl-1H-indole;bis(6-propan-2-yl-1H-benzimidazole);4-propan-2-yl-2H-pyrrole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine is C.C=C1Cc2cc(C(C)C)ccc2N1.C=C1Nc2ccc(C(C)C)cc2O1.C=C1Nc2ccc(C(C)C)cc2S1.CC(C)C1=CCN=C1.CC(C)c1ccc2[nH]ccc2c1Cl.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1cnc2[nH]ccc2c1.CC1Nc2ccc(C(C)C)cc2S1.Cc1cc(C(C)C)cc2cc[nH]c12.

What is the InChIKey of 4-chloro-5-propan-2-yl-1H-indole;methane;2-methylidene-6-propan-2-yl-3H-1,3-benzothiazole;2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methyl-6-propan-2-yl-2,3-dihydro-1,3-benzothiazole;7-methyl-5-propan-2-yl-1H-indole;bis(6-propan-2-yl-1H-benzimidazole);4-propan-2-yl-2H-pyrrole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine?

The InChIKey is RPYQCRKURUBRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H15N.C11H12ClN.C11H13NO.C11H15NS.C11H13NS.3C10H12N2.C7H11N.CH4/c1-8(2)11-6-9(3)12-10(7-11)4-5-13-12;1-8(2)10-4-5-12-11(7-10)6-9(3)13-12;1-7(2)8-3-4-10-9(11(8)12)5-6-13-10;3*1-7(2)9-4-5-10-11(6-9)13-8(3)12-10;1-7(2)9-5-8-3-4-11-10(8)12-6-9;2*1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-6(2)7-3-4-8-5-7;/h4-8,13H,1-3H3;4-5,7-8,13H,3,6H2,1-2H3;3-7,13H,1-2H3;4-7,12H,3H2,1-2H3;4-8,12H,1-3H3;4-7,12H,3H2,1-2H3;3*3-7H,1-2H3,(H,11,12);3,5-6H,4H2,1-2H3;1H4.

What are the key properties of 4-chloro-5-propan-2-yl-1H-indole;methane;2-methylidene-6-propan-2-yl-3H-1,3-benzothiazole;2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methyl-6-propan-2-yl-2,3-dihydro-1,3-benzothiazole;7-methyl-5-propan-2-yl-1H-indole;bis(6-propan-2-yl-1H-benzimidazole);4-propan-2-yl-2H-pyrrole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine?

4-chloro-5-propan-2-yl-1H-indole;methane;2-methylidene-6-propan-2-yl-3H-1,3-benzothiazole;2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methyl-6-propan-2-yl-2,3-dihydro-1,3-benzothiazole;7-methyl-5-propan-2-yl-1H-indole;bis(6-propan-2-yl-1H-benzimidazole);4-propan-2-yl-2H-pyrrole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 1705.91 g/mol, XLogP of 31.74, 10 rotatable bonds, 9 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-5-propan-2-yl-1H-indole;methane;2-methylidene-6-propan-2-yl-3H-1,3-benzothiazole;2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methyl-6-propan-2-yl-2,3-dihydro-1,3-benzothiazole;7-methyl-5-propan-2-yl-1H-indole;bis(6-propan-2-yl-1H-benzimidazole);4-propan-2-yl-2H-pyrrole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 160695647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).