N,N-dimethyl-1,3-dioxo-2-phenyl-5,9b-dihydroimidazo[1,5-b]isoindole-5-carboxamide

C19H17N3O3 — CID 13266573

IUPACN,N-dimethyl-1,3-dioxo-2-phenyl-5,9b-dihydroimidazo[1,5-b]isoindole-5-carboxamide
SMILESCN(C)C(=O)C1c2ccccc2C2C(=O)N(c3ccccc3)C(=O)N12
InChIInChI=1S/C19H17N3O3/c1-20(2)17(23)15-13-10-6-7-11-14(13)16-18(24)21(19(25)22(15)16)12-8-4-3-5-9-12/h3-11,15-16H,1-2H3
InChIKeyAMAXTYPEWZFBKB-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.34
Rot. Bonds2

About N,N-dimethyl-1,3-dioxo-2-phenyl-5,9b-dihydroimidazo[1,5-b]isoindole-5-carboxamide

N,N-dimethyl-1,3-dioxo-2-phenyl-5,9b-dihydroimidazo[1,5-b]isoindole-5-carboxamide (PubChem CID 13266573) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is N,N-dimethyl-1,3-dioxo-2-phenyl-5,9b-dihydroimidazo[1,5-b]isoindole-5-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1,3-dioxo-2-phenyl-5,9b-dihydroimidazo[1,5-b]isoindole-5-carboxamide
PubChem CID13266573
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC NameN,N-dimethyl-1,3-dioxo-2-phenyl-5,9b-dihydroimidazo[1,5-b]isoindole-5-carboxamide
SMILESCN(C)C(=O)C1c2ccccc2C2C(=O)N(c3ccccc3)C(=O)N12
InChIInChI=1S/C19H17N3O3/c1-20(2)17(23)15-13-10-6-7-11-14(13)16-18(24)21(19(25)22(15)16)12-8-4-3-5-9-12/h3-11,15-16H,1-2H3
InChIKeyAMAXTYPEWZFBKB-UHFFFAOYSA-N
XLogP2.34
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1,3-dioxo-2-phenyl-5,9b-dihydroimidazo[1,5-b]isoindole-5-carboxamide?
The IUPAC name of N,N-dimethyl-1,3-dioxo-2-phenyl-5,9b-dihydroimidazo[1,5-b]isoindole-5-carboxamide (CID 13266573) is N,N-dimethyl-1,3-dioxo-2-phenyl-5,9b-dihydroimidazo[1,5-b]isoindole-5-carboxamide.
What is the SMILES notation for N,N-dimethyl-1,3-dioxo-2-phenyl-5,9b-dihydroimidazo[1,5-b]isoindole-5-carboxamide?
The canonical SMILES for N,N-dimethyl-1,3-dioxo-2-phenyl-5,9b-dihydroimidazo[1,5-b]isoindole-5-carboxamide is CN(C)C(=O)C1c2ccccc2C2C(=O)N(c3ccccc3)C(=O)N12.
What is the InChIKey of N,N-dimethyl-1,3-dioxo-2-phenyl-5,9b-dihydroimidazo[1,5-b]isoindole-5-carboxamide?
The InChIKey is AMAXTYPEWZFBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-20(2)17(23)15-13-10-6-7-11-14(13)16-18(24)21(19(25)22(15)16)12-8-4-3-5-9-12/h3-11,15-16H,1-2H3.
What are the key properties of N,N-dimethyl-1,3-dioxo-2-phenyl-5,9b-dihydroimidazo[1,5-b]isoindole-5-carboxamide?
N,N-dimethyl-1,3-dioxo-2-phenyl-5,9b-dihydroimidazo[1,5-b]isoindole-5-carboxamide has a molecular weight of 335.36 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1,3-dioxo-2-phenyl-5,9b-dihydroimidazo[1,5-b]isoindole-5-carboxamide is sourced from PubChem (CID 13266573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).