2-methyl-6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazol-2-amine;5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;5-propan-2-yl-1H-indazol-3-amine;5-propan-2-yl-1H-indole;5-propan-2-yl-1H-pyrrolo[3,2-b]pyridine

C73H91N13O — CID 157373231

About 2-methyl-6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazol-2-amine;5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;5-propan-2-yl-1H-indazol-3-amine;5-propan-2-yl-1H-indole;5-propan-2-yl-1H-pyrrolo[3,2-b]pyridine

2-methyl-6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazol-2-amine;5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;5-propan-2-yl-1H-indazol-3-amine;5-propan-2-yl-1H-indole;5-propan-2-yl-1H-pyrrolo[3,2-b]pyridine (PubChem CID 157373231) has the molecular formula C73H91N13O and a molecular weight of 1166.62 g/mol. Its IUPAC name is 2-methyl-6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazol-2-amine;5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;5-propan-2-yl-1H-indazol-3-amine;5-propan-2-yl-1H-indole;5-propan-2-yl-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

• Compound Name: 2-methyl-6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazol-2-amine;5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;5-propan-2-yl-1H-indazol-3-amine;5-propan-2-yl-1H-indole;5-propan-2-yl-1H-pyrrolo[3,2-b]pyridine
• PubChem CID: 157373231
• Molecular Formula: C73H91N13O
• Molecular Weight: 1166.62 g/mol
• Exact Mass: 1165.75
• IUPAC Name: 2-methyl-6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazol-2-amine;5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;5-propan-2-yl-1H-indazol-3-amine;5-propan-2-yl-1H-indole;5-propan-2-yl-1H-pyrrolo[3,2-b]pyridine
• SMILES: CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2[nH]ccc2n1.CC(C)c1ccc2[nH]nc(N)c2c1.CC(C)c1ccc2c(n1)CCN2.CC(C)c1ccc2nc(N)[nH]c2c1.CC(C)c1ccc2occc2c1.Cc1nc2ccc(C(C)C)cc2[nH]1
• InChI: InChI=1S/C11H14N2.C11H13N.C11H12O.2C10H13N3.C10H14N2.C10H12N2/c1-7(2)9-4-5-10-11(6-9)13-8(3)12-10;2*1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-6(2)7-3-4-9-8(5-7)10(11)13-12-9;1-6(2)7-3-4-8-9(5-7)13-10(11)12-8;2*1-7(2)8-3-4-9-10(12-8)5-6-11-9/h4-7H,1-3H3,(H,12,13);3-8,12H,1-2H3;3-8H,1-2H3;2*3-6H,1-2H3,(H3,11,12,13);3-4,7,11H,5-6H2,1-2H3;3-7,11H,1-2H3
• InChIKey: BJZXUBNJSGEHEG-UHFFFAOYSA-N
• XLogP: 19.24
• TPSA: 220.61 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1166.62
LogP ≤ 5	19.24
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazol-2-amine;5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;5-propan-2-yl-1H-indazol-3-amine;5-propan-2-yl-1H-indole;5-propan-2-yl-1H-pyrrolo[3,2-b]pyridine?

The IUPAC name of 2-methyl-6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazol-2-amine;5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;5-propan-2-yl-1H-indazol-3-amine;5-propan-2-yl-1H-indole;5-propan-2-yl-1H-pyrrolo[3,2-b]pyridine (CID 157373231) is 2-methyl-6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazol-2-amine;5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;5-propan-2-yl-1H-indazol-3-amine;5-propan-2-yl-1H-indole;5-propan-2-yl-1H-pyrrolo[3,2-b]pyridine.

What is the SMILES notation for 2-methyl-6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazol-2-amine;5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;5-propan-2-yl-1H-indazol-3-amine;5-propan-2-yl-1H-indole;5-propan-2-yl-1H-pyrrolo[3,2-b]pyridine?

The canonical SMILES for 2-methyl-6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazol-2-amine;5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;5-propan-2-yl-1H-indazol-3-amine;5-propan-2-yl-1H-indole;5-propan-2-yl-1H-pyrrolo[3,2-b]pyridine is CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2[nH]ccc2n1.CC(C)c1ccc2[nH]nc(N)c2c1.CC(C)c1ccc2c(n1)CCN2.CC(C)c1ccc2nc(N)[nH]c2c1.CC(C)c1ccc2occc2c1.Cc1nc2ccc(C(C)C)cc2[nH]1.

What is the InChIKey of 2-methyl-6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazol-2-amine;5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;5-propan-2-yl-1H-indazol-3-amine;5-propan-2-yl-1H-indole;5-propan-2-yl-1H-pyrrolo[3,2-b]pyridine?

The InChIKey is BJZXUBNJSGEHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2.C11H13N.C11H12O.2C10H13N3.C10H14N2.C10H12N2/c1-7(2)9-4-5-10-11(6-9)13-8(3)12-10;2*1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-6(2)7-3-4-9-8(5-7)10(11)13-12-9;1-6(2)7-3-4-8-9(5-7)13-10(11)12-8;2*1-7(2)8-3-4-9-10(12-8)5-6-11-9/h4-7H,1-3H3,(H,12,13);3-8,12H,1-2H3;3-8H,1-2H3;2*3-6H,1-2H3,(H3,11,12,13);3-4,7,11H,5-6H2,1-2H3;3-7,11H,1-2H3.

What are the key properties of 2-methyl-6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazol-2-amine;5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;5-propan-2-yl-1H-indazol-3-amine;5-propan-2-yl-1H-indole;5-propan-2-yl-1H-pyrrolo[3,2-b]pyridine?

2-methyl-6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazol-2-amine;5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;5-propan-2-yl-1H-indazol-3-amine;5-propan-2-yl-1H-indole;5-propan-2-yl-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 1166.62 g/mol, XLogP of 19.24, 7 rotatable bonds, 8 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazol-2-amine;5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;5-propan-2-yl-1H-indazol-3-amine;5-propan-2-yl-1H-indole;5-propan-2-yl-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 157373231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).