6-(dipropylamino)-2-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione

C26H26N4O3 — CID 130471754

IUPAC6-(dipropylamino)-2-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione
SMILESCCCN(CCC)c1ccc2c3c(cccc13)C(=O)N(c1cc3[nH]c(=O)[nH]c3cc1C)C2=O
InChIInChI=1S/C26H26N4O3/c1-4-11-29(12-5-2)21-10-9-18-23-16(21)7-6-8-17(23)24(31)30(25(18)32)22-14-20-19(13-15(22)3)27-26(33)28-20/h6-10,13-14H,4-5,11-12H2,1-3H3,(H2,27,28,33)
InChIKeyYPHAKGWWZRXLCI-UHFFFAOYSA-N
MW442.52 g/mol
LogP4.74
Rot. Bonds6

About 6-(dipropylamino)-2-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione

6-(dipropylamino)-2-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione (PubChem CID 130471754) has the molecular formula C26H26N4O3 and a molecular weight of 442.52 g/mol. Its IUPAC name is 6-(dipropylamino)-2-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name6-(dipropylamino)-2-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione
PubChem CID130471754
Molecular FormulaC26H26N4O3
Molecular Weight442.52 g/mol
Exact Mass442.20
IUPAC Name6-(dipropylamino)-2-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione
SMILESCCCN(CCC)c1ccc2c3c(cccc13)C(=O)N(c1cc3[nH]c(=O)[nH]c3cc1C)C2=O
InChIInChI=1S/C26H26N4O3/c1-4-11-29(12-5-2)21-10-9-18-23-16(21)7-6-8-17(23)24(31)30(25(18)32)22-14-20-19(13-15(22)3)27-26(33)28-20/h6-10,13-14H,4-5,11-12H2,1-3H3,(H2,27,28,33)
InChIKeyYPHAKGWWZRXLCI-UHFFFAOYSA-N
XLogP4.74
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(dipropylamino)-2-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione?
The IUPAC name of 6-(dipropylamino)-2-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione (CID 130471754) is 6-(dipropylamino)-2-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 6-(dipropylamino)-2-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 6-(dipropylamino)-2-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione is CCCN(CCC)c1ccc2c3c(cccc13)C(=O)N(c1cc3[nH]c(=O)[nH]c3cc1C)C2=O.
What is the InChIKey of 6-(dipropylamino)-2-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione?
The InChIKey is YPHAKGWWZRXLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3/c1-4-11-29(12-5-2)21-10-9-18-23-16(21)7-6-8-17(23)24(31)30(25(18)32)22-14-20-19(13-15(22)3)27-26(33)28-20/h6-10,13-14H,4-5,11-12H2,1-3H3,(H2,27,28,33).
What are the key properties of 6-(dipropylamino)-2-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione?
6-(dipropylamino)-2-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione has a molecular weight of 442.52 g/mol, XLogP of 4.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dipropylamino)-2-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 130471754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).