N-(3,4-dihydroindeno[1,2-d]imidazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide

C15H13N3O3 — CID 123731446

IUPACN-(3,4-dihydroindeno[1,2-d]imidazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(Nc1nc2c([nH]1)Cc1ccccc1-2)C1=COCCO1
InChIInChI=1S/C15H13N3O3/c19-14(12-8-20-5-6-21-12)18-15-16-11-7-9-3-1-2-4-10(9)13(11)17-15/h1-4,8H,5-7H2,(H2,16,17,18,19)
InChIKeyXRGFYUTWSSGUMV-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.81
Rot. Bonds2

About N-(3,4-dihydroindeno[1,2-d]imidazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide

N-(3,4-dihydroindeno[1,2-d]imidazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 123731446) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is N-(3,4-dihydroindeno[1,2-d]imidazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-(3,4-dihydroindeno[1,2-d]imidazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID123731446
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC NameN-(3,4-dihydroindeno[1,2-d]imidazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(Nc1nc2c([nH]1)Cc1ccccc1-2)C1=COCCO1
InChIInChI=1S/C15H13N3O3/c19-14(12-8-20-5-6-21-12)18-15-16-11-7-9-3-1-2-4-10(9)13(11)17-15/h1-4,8H,5-7H2,(H2,16,17,18,19)
InChIKeyXRGFYUTWSSGUMV-UHFFFAOYSA-N
XLogP1.81
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3,4-dihydroindeno[1,2-d]imidazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydroindeno[1,2-d]imidazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-(3,4-dihydroindeno[1,2-d]imidazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 123731446) is N-(3,4-dihydroindeno[1,2-d]imidazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-(3,4-dihydroindeno[1,2-d]imidazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-(3,4-dihydroindeno[1,2-d]imidazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide is O=C(Nc1nc2c([nH]1)Cc1ccccc1-2)C1=COCCO1.
What is the InChIKey of N-(3,4-dihydroindeno[1,2-d]imidazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is XRGFYUTWSSGUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c19-14(12-8-20-5-6-21-12)18-15-16-11-7-9-3-1-2-4-10(9)13(11)17-15/h1-4,8H,5-7H2,(H2,16,17,18,19).
What are the key properties of N-(3,4-dihydroindeno[1,2-d]imidazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-(3,4-dihydroindeno[1,2-d]imidazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 283.29 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydroindeno[1,2-d]imidazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 123731446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).