22,22-dimethyl-3-(1-methylbenzimidazol-2-yl)-3-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene

C33H25N3 — CID 122464562

About 22,22-dimethyl-3-(1-methylbenzimidazol-2-yl)-3-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene

22,22-dimethyl-3-(1-methylbenzimidazol-2-yl)-3-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene (PubChem CID 122464562) has the molecular formula C33H25N3 and a molecular weight of 463.58 g/mol. Its IUPAC name is 22,22-dimethyl-3-(1-methylbenzimidazol-2-yl)-3-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene.

Molecular Properties

• Compound Name: 22,22-dimethyl-3-(1-methylbenzimidazol-2-yl)-3-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene
• PubChem CID: 122464562
• Molecular Formula: C33H25N3
• Molecular Weight: 463.58 g/mol
• Exact Mass: 463.20
• IUPAC Name: 22,22-dimethyl-3-(1-methylbenzimidazol-2-yl)-3-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene
• SMILES: Cn1c(-n2c3ccccc3c3ccc4cc5c(cc4c32)C(C)(C)c2ccccc2-5)nc2ccccc21
• InChI: InChI=1S/C33H25N3/c1-33(2)26-12-6-4-10-21(26)25-18-20-16-17-23-22-11-5-8-14-29(22)36(31(23)24(20)19-27(25)33)32-34-28-13-7-9-15-30(28)35(32)3/h4-19H,1-3H3
• InChIKey: FXCMDVJPEFHSCT-UHFFFAOYSA-N
• XLogP: 8.13
• TPSA: 22.75 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	463.58
LogP ≤ 5	8.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 22,22-dimethyl-3-(1-methylbenzimidazol-2-yl)-3-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene?

The IUPAC name of 22,22-dimethyl-3-(1-methylbenzimidazol-2-yl)-3-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene (CID 122464562) is 22,22-dimethyl-3-(1-methylbenzimidazol-2-yl)-3-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene.

What is the SMILES notation for 22,22-dimethyl-3-(1-methylbenzimidazol-2-yl)-3-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene?

The canonical SMILES for 22,22-dimethyl-3-(1-methylbenzimidazol-2-yl)-3-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene is Cn1c(-n2c3ccccc3c3ccc4cc5c(cc4c32)C(C)(C)c2ccccc2-5)nc2ccccc21.

What is the InChIKey of 22,22-dimethyl-3-(1-methylbenzimidazol-2-yl)-3-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene?

The InChIKey is FXCMDVJPEFHSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25N3/c1-33(2)26-12-6-4-10-21(26)25-18-20-16-17-23-22-11-5-8-14-29(22)36(31(23)24(20)19-27(25)33)32-34-28-13-7-9-15-30(28)35(32)3/h4-19H,1-3H3.

What are the key properties of 22,22-dimethyl-3-(1-methylbenzimidazol-2-yl)-3-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene?

22,22-dimethyl-3-(1-methylbenzimidazol-2-yl)-3-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene has a molecular weight of 463.58 g/mol, XLogP of 8.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 22,22-dimethyl-3-(1-methylbenzimidazol-2-yl)-3-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene is sourced from PubChem (CID 122464562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).