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

C28H19N5O — CID 15942612

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

N-[4-(1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide (PubChem CID 15942612) has the molecular formula C28H19N5O and a molecular weight of 441.49 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-(1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
• PubChem CID: 15942612
• Molecular Formula: C28H19N5O
• Molecular Weight: 441.49 g/mol
• Exact Mass: 441.16
• IUPAC Name: N-[4-(1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
• SMILES: O=C(NC1c2ccccc2-c2c(-c3nc4ccccc4[nH]3)cccc21)c1ccnc2[nH]ccc12
• InChI: InChI=1S/C28H19N5O/c34-28(19-13-15-30-26-18(19)12-14-29-26)33-25-17-7-2-1-6-16(17)24-20(25)8-5-9-21(24)27-31-22-10-3-4-11-23(22)32-27/h1-15,25H,(H,29,30)(H,31,32)(H,33,34)
• InChIKey: AGFWZSJQIQEPFF-UHFFFAOYSA-N
• XLogP: 5.61
• TPSA: 86.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	441.49
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-[4-(1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide (CID 15942612) is N-[4-(1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide.

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

The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide is O=C(NC1c2ccccc2-c2c(-c3nc4ccccc4[nH]3)cccc21)c1ccnc2[nH]ccc12.

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

The InChIKey is AGFWZSJQIQEPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19N5O/c34-28(19-13-15-30-26-18(19)12-14-29-26)33-25-17-7-2-1-6-16(17)24-20(25)8-5-9-21(24)27-31-22-10-3-4-11-23(22)32-27/h1-15,25H,(H,29,30)(H,31,32)(H,33,34).

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

N-[4-(1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide has a molecular weight of 441.49 g/mol, XLogP of 5.61, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide is sourced from PubChem (CID 15942612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).