3-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-5-pyridin-2-yl-[1]benzofuro[3,2-c]carbazole

C38H25FN4O — CID 140954306

About 3-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-5-pyridin-2-yl-[1]benzofuro[3,2-c]carbazole

3-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-5-pyridin-2-yl-[1]benzofuro[3,2-c]carbazole (PubChem CID 140954306) has the molecular formula C38H25FN4O and a molecular weight of 572.64 g/mol. Its IUPAC name is 3-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-5-pyridin-2-yl-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

• Compound Name: 3-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-5-pyridin-2-yl-[1]benzofuro[3,2-c]carbazole
• PubChem CID: 140954306
• Molecular Formula: C38H25FN4O
• Molecular Weight: 572.64 g/mol
• Exact Mass: 572.20
• IUPAC Name: 3-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-5-pyridin-2-yl-[1]benzofuro[3,2-c]carbazole
• SMILES: Cn1c(-c2cccc(C(F)c3ccc4c5c6oc7ccccc7c6ccc5n(-c5ccccn5)c4c3)c2)nc2ccccc21
• InChI: InChI=1S/C38H25FN4O/c1-42-30-13-4-3-12-29(30)41-38(42)25-10-8-9-23(21-25)36(39)24-16-17-28-32(22-24)43(34-15-6-7-20-40-34)31-19-18-27-26-11-2-5-14-33(26)44-37(27)35(28)31/h2-22,36H,1H3
• InChIKey: AHJIGRTVSHZDSV-UHFFFAOYSA-N
• XLogP: 9.69
• TPSA: 48.78 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	572.64
LogP ≤ 5	9.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-5-pyridin-2-yl-[1]benzofuro[3,2-c]carbazole?

The IUPAC name of 3-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-5-pyridin-2-yl-[1]benzofuro[3,2-c]carbazole (CID 140954306) is 3-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-5-pyridin-2-yl-[1]benzofuro[3,2-c]carbazole.

What is the SMILES notation for 3-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-5-pyridin-2-yl-[1]benzofuro[3,2-c]carbazole?

The canonical SMILES for 3-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-5-pyridin-2-yl-[1]benzofuro[3,2-c]carbazole is Cn1c(-c2cccc(C(F)c3ccc4c5c6oc7ccccc7c6ccc5n(-c5ccccn5)c4c3)c2)nc2ccccc21.

What is the InChIKey of 3-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-5-pyridin-2-yl-[1]benzofuro[3,2-c]carbazole?

The InChIKey is AHJIGRTVSHZDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25FN4O/c1-42-30-13-4-3-12-29(30)41-38(42)25-10-8-9-23(21-25)36(39)24-16-17-28-32(22-24)43(34-15-6-7-20-40-34)31-19-18-27-26-11-2-5-14-33(26)44-37(27)35(28)31/h2-22,36H,1H3.

What are the key properties of 3-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-5-pyridin-2-yl-[1]benzofuro[3,2-c]carbazole?

3-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-5-pyridin-2-yl-[1]benzofuro[3,2-c]carbazole has a molecular weight of 572.64 g/mol, XLogP of 9.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-5-pyridin-2-yl-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 140954306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).