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

C38H25FN4O — CID 140952342

About 7-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-5-pyridin-2-yl-[1]benzofuro[3,2-c]carbazole

7-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-5-pyridin-2-yl-[1]benzofuro[3,2-c]carbazole (PubChem CID 140952342) has the molecular formula C38H25FN4O and a molecular weight of 572.64 g/mol. Its IUPAC name is 7-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-5-pyridin-2-yl-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

• Compound Name: 7-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-5-pyridin-2-yl-[1]benzofuro[3,2-c]carbazole
• PubChem CID: 140952342
• Molecular Formula: C38H25FN4O
• Molecular Weight: 572.64 g/mol
• Exact Mass: 572.20
• IUPAC Name: 7-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-5-pyridin-2-yl-[1]benzofuro[3,2-c]carbazole
• SMILES: Cn1c(-c2cccc(C(F)c3cc4c(c5ccccc5n4-c4ccccn4)c4oc5ccccc5c34)c2)nc2ccccc21
• InChI: InChI=1S/C38H25FN4O/c1-42-30-17-6-4-15-28(30)41-38(42)24-12-10-11-23(21-24)36(39)27-22-31-35(37-34(27)26-14-3-7-18-32(26)44-37)25-13-2-5-16-29(25)43(31)33-19-8-9-20-40-33/h2-22,36H,1H3
• InChIKey: AYQXNHDDLNQQKY-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 7-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-5-pyridin-2-yl-[1]benzofuro[3,2-c]carbazole?

The IUPAC name of 7-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-5-pyridin-2-yl-[1]benzofuro[3,2-c]carbazole (CID 140952342) is 7-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-5-pyridin-2-yl-[1]benzofuro[3,2-c]carbazole.

What is the SMILES notation for 7-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-5-pyridin-2-yl-[1]benzofuro[3,2-c]carbazole?

The canonical SMILES for 7-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-5-pyridin-2-yl-[1]benzofuro[3,2-c]carbazole is Cn1c(-c2cccc(C(F)c3cc4c(c5ccccc5n4-c4ccccn4)c4oc5ccccc5c34)c2)nc2ccccc21.

What is the InChIKey of 7-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-5-pyridin-2-yl-[1]benzofuro[3,2-c]carbazole?

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

What are the key properties of 7-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-5-pyridin-2-yl-[1]benzofuro[3,2-c]carbazole?

7-[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 7-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-5-pyridin-2-yl-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 140952342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).