4-benzyl-2,15-dimethyl-2,4,13,15-tetrazapentacyclo[11.8.0.01,5.06,11.016,21]henicosa-6,8,10,16,18,20-hexaene-3,14-dione

C26H24N4O2 — CID 24887862

IUPAC4-benzyl-2,15-dimethyl-2,4,13,15-tetrazapentacyclo[11.8.0.01,5.06,11.016,21]henicosa-6,8,10,16,18,20-hexaene-3,14-dione
SMILESCN1C(=O)N2Cc3ccccc3C3N(Cc4ccccc4)C(=O)N(C)C32c2ccccc21
InChIInChI=1S/C26H24N4O2/c1-27-22-15-9-8-14-21(22)26-23(20-13-7-6-12-19(20)17-30(26)24(27)31)29(25(32)28(26)2)16-18-10-4-3-5-11-18/h3-15,23H,16-17H2,1-2H3
InChIKeyTWZTUIRAEUYRQZ-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.53
Rot. Bonds2

About 4-benzyl-2,15-dimethyl-2,4,13,15-tetrazapentacyclo[11.8.0.01,5.06,11.016,21]henicosa-6,8,10,16,18,20-hexaene-3,14-dione

4-benzyl-2,15-dimethyl-2,4,13,15-tetrazapentacyclo[11.8.0.01,5.06,11.016,21]henicosa-6,8,10,16,18,20-hexaene-3,14-dione (PubChem CID 24887862) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is 4-benzyl-2,15-dimethyl-2,4,13,15-tetrazapentacyclo[11.8.0.01,5.06,11.016,21]henicosa-6,8,10,16,18,20-hexaene-3,14-dione.

Molecular Properties

Compound Name4-benzyl-2,15-dimethyl-2,4,13,15-tetrazapentacyclo[11.8.0.01,5.06,11.016,21]henicosa-6,8,10,16,18,20-hexaene-3,14-dione
PubChem CID24887862
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC Name4-benzyl-2,15-dimethyl-2,4,13,15-tetrazapentacyclo[11.8.0.01,5.06,11.016,21]henicosa-6,8,10,16,18,20-hexaene-3,14-dione
SMILESCN1C(=O)N2Cc3ccccc3C3N(Cc4ccccc4)C(=O)N(C)C32c2ccccc21
InChIInChI=1S/C26H24N4O2/c1-27-22-15-9-8-14-21(22)26-23(20-13-7-6-12-19(20)17-30(26)24(27)31)29(25(32)28(26)2)16-18-10-4-3-5-11-18/h3-15,23H,16-17H2,1-2H3
InChIKeyTWZTUIRAEUYRQZ-UHFFFAOYSA-N
XLogP4.53
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-benzyl-2,15-dimethyl-2,4,13,15-tetrazapentacyclo[11.8.0.01,5.06,11.016,21]henicosa-6,8,10,16,18,20-hexaene-3,14-dione with MolForge

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Related Compounds

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Tbpb
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Csp-2503
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Benzimidazolone scaffold, 8b
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Benzimidazolone scaffold, 8e
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Benzimidazolone scaffold, 8f
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2-(4-Naphthalen-1-yl-piperazin-1-ylmethyl)-hexahydro-pyrrolo[1,2-a]pyrazine-1,4-dione
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(S)-2-((R)-2-Methyl-4-naphthalen-1-yl-piperazin-1-ylmethyl)-hexahydro-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 11440767

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2,15-dimethyl-2,4,13,15-tetrazapentacyclo[11.8.0.01,5.06,11.016,21]henicosa-6,8,10,16,18,20-hexaene-3,14-dione?
The IUPAC name of 4-benzyl-2,15-dimethyl-2,4,13,15-tetrazapentacyclo[11.8.0.01,5.06,11.016,21]henicosa-6,8,10,16,18,20-hexaene-3,14-dione (CID 24887862) is 4-benzyl-2,15-dimethyl-2,4,13,15-tetrazapentacyclo[11.8.0.01,5.06,11.016,21]henicosa-6,8,10,16,18,20-hexaene-3,14-dione.
What is the SMILES notation for 4-benzyl-2,15-dimethyl-2,4,13,15-tetrazapentacyclo[11.8.0.01,5.06,11.016,21]henicosa-6,8,10,16,18,20-hexaene-3,14-dione?
The canonical SMILES for 4-benzyl-2,15-dimethyl-2,4,13,15-tetrazapentacyclo[11.8.0.01,5.06,11.016,21]henicosa-6,8,10,16,18,20-hexaene-3,14-dione is CN1C(=O)N2Cc3ccccc3C3N(Cc4ccccc4)C(=O)N(C)C32c2ccccc21.
What is the InChIKey of 4-benzyl-2,15-dimethyl-2,4,13,15-tetrazapentacyclo[11.8.0.01,5.06,11.016,21]henicosa-6,8,10,16,18,20-hexaene-3,14-dione?
The InChIKey is TWZTUIRAEUYRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2/c1-27-22-15-9-8-14-21(22)26-23(20-13-7-6-12-19(20)17-30(26)24(27)31)29(25(32)28(26)2)16-18-10-4-3-5-11-18/h3-15,23H,16-17H2,1-2H3.
What are the key properties of 4-benzyl-2,15-dimethyl-2,4,13,15-tetrazapentacyclo[11.8.0.01,5.06,11.016,21]henicosa-6,8,10,16,18,20-hexaene-3,14-dione?
4-benzyl-2,15-dimethyl-2,4,13,15-tetrazapentacyclo[11.8.0.01,5.06,11.016,21]henicosa-6,8,10,16,18,20-hexaene-3,14-dione has a molecular weight of 424.50 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2,15-dimethyl-2,4,13,15-tetrazapentacyclo[11.8.0.01,5.06,11.016,21]henicosa-6,8,10,16,18,20-hexaene-3,14-dione is sourced from PubChem (CID 24887862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).