N-[4-[6-(dimethylamino)-1H-benzimidazol-2-yl]-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide

C30H24N6O — CID 15940908

About N-[4-[6-(dimethylamino)-1H-benzimidazol-2-yl]-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide

N-[4-[6-(dimethylamino)-1H-benzimidazol-2-yl]-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide (PubChem CID 15940908) has the molecular formula C30H24N6O and a molecular weight of 484.56 g/mol. Its IUPAC name is N-[4-[6-(dimethylamino)-1H-benzimidazol-2-yl]-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-[6-(dimethylamino)-1H-benzimidazol-2-yl]-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
• PubChem CID: 15940908
• Molecular Formula: C30H24N6O
• Molecular Weight: 484.56 g/mol
• Exact Mass: 484.20
• IUPAC Name: N-[4-[6-(dimethylamino)-1H-benzimidazol-2-yl]-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
• SMILES: CN(C)c1ccc2nc(-c3cccc4c3-c3ccccc3C4NC(=O)c3ccnc4[nH]ccc34)[nH]c2c1
• InChI: InChI=1S/C30H24N6O/c1-36(2)17-10-11-24-25(16-17)34-29(33-24)23-9-5-8-22-26(23)18-6-3-4-7-19(18)27(22)35-30(37)21-13-15-32-28-20(21)12-14-31-28/h3-16,27H,1-2H3,(H,31,32)(H,33,34)(H,35,37)
• InChIKey: KKTOPUWTJWLJNS-UHFFFAOYSA-N
• XLogP: 5.67
• TPSA: 89.70 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.56
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(dimethylamino)-1H-benzimidazol-2-yl]-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide?

The IUPAC name of N-[4-[6-(dimethylamino)-1H-benzimidazol-2-yl]-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide (CID 15940908) is N-[4-[6-(dimethylamino)-1H-benzimidazol-2-yl]-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide.

What is the SMILES notation for N-[4-[6-(dimethylamino)-1H-benzimidazol-2-yl]-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide?

The canonical SMILES for N-[4-[6-(dimethylamino)-1H-benzimidazol-2-yl]-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide is CN(C)c1ccc2nc(-c3cccc4c3-c3ccccc3C4NC(=O)c3ccnc4[nH]ccc34)[nH]c2c1.

What is the InChIKey of N-[4-[6-(dimethylamino)-1H-benzimidazol-2-yl]-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide?

The InChIKey is KKTOPUWTJWLJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N6O/c1-36(2)17-10-11-24-25(16-17)34-29(33-24)23-9-5-8-22-26(23)18-6-3-4-7-19(18)27(22)35-30(37)21-13-15-32-28-20(21)12-14-31-28/h3-16,27H,1-2H3,(H,31,32)(H,33,34)(H,35,37).

What are the key properties of N-[4-[6-(dimethylamino)-1H-benzimidazol-2-yl]-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide?

N-[4-[6-(dimethylamino)-1H-benzimidazol-2-yl]-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide has a molecular weight of 484.56 g/mol, XLogP of 5.67, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[6-(dimethylamino)-1H-benzimidazol-2-yl]-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide is sourced from PubChem (CID 15940908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).