2-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]isoindole-1,3-dione

C19H18N4O3 — CID 168516832

IUPAC2-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]isoindole-1,3-dione
SMILESCN(C)c1cc2c(cc1N1C(=O)c3ccccc3C1=O)n(C)c(=O)n2C
InChIInChI=1S/C19H18N4O3/c1-20(2)13-9-14-15(22(4)19(26)21(14)3)10-16(13)23-17(24)11-7-5-6-8-12(11)18(23)25/h5-10H,1-4H3
InChIKeyLRXRSYMRUZCBLF-UHFFFAOYSA-N
MW350.38 g/mol
LogP1.74
Rot. Bonds2

About 2-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]isoindole-1,3-dione

2-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]isoindole-1,3-dione (PubChem CID 168516832) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 2-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]isoindole-1,3-dione
PubChem CID168516832
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name2-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]isoindole-1,3-dione
SMILESCN(C)c1cc2c(cc1N1C(=O)c3ccccc3C1=O)n(C)c(=O)n2C
InChIInChI=1S/C19H18N4O3/c1-20(2)13-9-14-15(22(4)19(26)21(14)3)10-16(13)23-17(24)11-7-5-6-8-12(11)18(23)25/h5-10H,1-4H3
InChIKeyLRXRSYMRUZCBLF-UHFFFAOYSA-N
XLogP1.74
TPSA67.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]isoindole-1,3-dione?
The IUPAC name of 2-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]isoindole-1,3-dione (CID 168516832) is 2-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]isoindole-1,3-dione is CN(C)c1cc2c(cc1N1C(=O)c3ccccc3C1=O)n(C)c(=O)n2C.
What is the InChIKey of 2-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]isoindole-1,3-dione?
The InChIKey is LRXRSYMRUZCBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-20(2)13-9-14-15(22(4)19(26)21(14)3)10-16(13)23-17(24)11-7-5-6-8-12(11)18(23)25/h5-10H,1-4H3.
What are the key properties of 2-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]isoindole-1,3-dione?
2-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]isoindole-1,3-dione has a molecular weight of 350.38 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]isoindole-1,3-dione is sourced from PubChem (CID 168516832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).