11-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-14-pyridin-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene

C37H28N4O — CID 170668607

About 11-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-14-pyridin-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene

11-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-14-pyridin-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene (PubChem CID 170668607) has the molecular formula C37H28N4O and a molecular weight of 544.66 g/mol. Its IUPAC name is 11-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-14-pyridin-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene.

Molecular Properties

• Compound Name: 11-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-14-pyridin-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
• PubChem CID: 170668607
• Molecular Formula: C37H28N4O
• Molecular Weight: 544.66 g/mol
• Exact Mass: 544.23
• IUPAC Name: 11-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-14-pyridin-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
• SMILES: CN1CN(c2cccc(Oc3ccc4c(c3)N(c3ccccn3)c3ccccc3-c3ccccc3-4)c2)c2ccccc21
• InChI: InChI=1S/C37H28N4O/c1-39-25-40(35-18-7-6-17-34(35)39)26-11-10-12-27(23-26)42-28-20-21-32-30-14-3-2-13-29(30)31-15-4-5-16-33(31)41(36(32)24-28)37-19-8-9-22-38-37/h2-24H,25H2,1H3
• InChIKey: UWGQJGYGRPPTOS-UHFFFAOYSA-N
• XLogP: 9.54
• TPSA: 31.84 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	544.66
LogP ≤ 5	9.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 11-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-14-pyridin-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene?

The IUPAC name of 11-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-14-pyridin-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene (CID 170668607) is 11-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-14-pyridin-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene.

What is the SMILES notation for 11-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-14-pyridin-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene?

The canonical SMILES for 11-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-14-pyridin-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene is CN1CN(c2cccc(Oc3ccc4c(c3)N(c3ccccn3)c3ccccc3-c3ccccc3-4)c2)c2ccccc21.

What is the InChIKey of 11-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-14-pyridin-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene?

The InChIKey is UWGQJGYGRPPTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H28N4O/c1-39-25-40(35-18-7-6-17-34(35)39)26-11-10-12-27(23-26)42-28-20-21-32-30-14-3-2-13-29(30)31-15-4-5-16-33(31)41(36(32)24-28)37-19-8-9-22-38-37/h2-24H,25H2,1H3.

What are the key properties of 11-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-14-pyridin-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene?

11-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-14-pyridin-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene has a molecular weight of 544.66 g/mol, XLogP of 9.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-14-pyridin-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene is sourced from PubChem (CID 170668607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).