8-[1-[1,3-di(propan-2-yl)naphthalen-2-yl]-5-methylbenzimidazol-2-yl]-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine

C38H37N3O — CID 156670538

About 8-[1-[1,3-di(propan-2-yl)naphthalen-2-yl]-5-methylbenzimidazol-2-yl]-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine

8-[1-[1,3-di(propan-2-yl)naphthalen-2-yl]-5-methylbenzimidazol-2-yl]-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine (PubChem CID 156670538) has the molecular formula C38H37N3O and a molecular weight of 551.73 g/mol. Its IUPAC name is 8-[1-[1,3-di(propan-2-yl)naphthalen-2-yl]-5-methylbenzimidazol-2-yl]-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

• Compound Name: 8-[1-[1,3-di(propan-2-yl)naphthalen-2-yl]-5-methylbenzimidazol-2-yl]-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine
• PubChem CID: 156670538
• Molecular Formula: C38H37N3O
• Molecular Weight: 551.73 g/mol
• Exact Mass: 551.29
• IUPAC Name: 8-[1-[1,3-di(propan-2-yl)naphthalen-2-yl]-5-methylbenzimidazol-2-yl]-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine
• SMILES: Cc1ccc2c(c1)nc(-c1cccc3c1oc1nc(C(C)C)ccc13)n2-c1c(C(C)C)cc2ccccc2c1C(C)C
• InChI: InChI=1S/C38H37N3O/c1-21(2)30-20-25-11-8-9-12-26(25)34(23(5)6)35(30)41-33-18-15-24(7)19-32(33)39-37(41)29-14-10-13-27-28-16-17-31(22(3)4)40-38(28)42-36(27)29/h8-23H,1-7H3
• InChIKey: JHSUOEILLJNROL-UHFFFAOYSA-N
• XLogP: 10.82
• TPSA: 43.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	551.73
LogP ≤ 5	10.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 8-[1-[1,3-di(propan-2-yl)naphthalen-2-yl]-5-methylbenzimidazol-2-yl]-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine?

The IUPAC name of 8-[1-[1,3-di(propan-2-yl)naphthalen-2-yl]-5-methylbenzimidazol-2-yl]-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine (CID 156670538) is 8-[1-[1,3-di(propan-2-yl)naphthalen-2-yl]-5-methylbenzimidazol-2-yl]-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine.

What is the SMILES notation for 8-[1-[1,3-di(propan-2-yl)naphthalen-2-yl]-5-methylbenzimidazol-2-yl]-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine?

The canonical SMILES for 8-[1-[1,3-di(propan-2-yl)naphthalen-2-yl]-5-methylbenzimidazol-2-yl]-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine is Cc1ccc2c(c1)nc(-c1cccc3c1oc1nc(C(C)C)ccc13)n2-c1c(C(C)C)cc2ccccc2c1C(C)C.

What is the InChIKey of 8-[1-[1,3-di(propan-2-yl)naphthalen-2-yl]-5-methylbenzimidazol-2-yl]-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine?

The InChIKey is JHSUOEILLJNROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H37N3O/c1-21(2)30-20-25-11-8-9-12-26(25)34(23(5)6)35(30)41-33-18-15-24(7)19-32(33)39-37(41)29-14-10-13-27-28-16-17-31(22(3)4)40-38(28)42-36(27)29/h8-23H,1-7H3.

What are the key properties of 8-[1-[1,3-di(propan-2-yl)naphthalen-2-yl]-5-methylbenzimidazol-2-yl]-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine?

8-[1-[1,3-di(propan-2-yl)naphthalen-2-yl]-5-methylbenzimidazol-2-yl]-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine has a molecular weight of 551.73 g/mol, XLogP of 10.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[1-[1,3-di(propan-2-yl)naphthalen-2-yl]-5-methylbenzimidazol-2-yl]-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 156670538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).