2-amino-3-(5-bromo-2,3-dihydro-1H-inden-1-yl)-5,5-diphenylimidazol-4-one

C24H20BrN3O — CID 59388807

IUPAC2-amino-3-(5-bromo-2,3-dihydro-1H-inden-1-yl)-5,5-diphenylimidazol-4-one
SMILESNC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1C1CCc2cc(Br)ccc21
InChIInChI=1S/C24H20BrN3O/c25-19-12-13-20-16(15-19)11-14-21(20)28-22(29)24(27-23(28)26,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,12-13,15,21H,11,14H2,(H2,26,27)
InChIKeyGJNIOFKJGADUPX-UHFFFAOYSA-N
MW446.35 g/mol
LogP4.54
Rot. Bonds3

About 2-amino-3-(5-bromo-2,3-dihydro-1H-inden-1-yl)-5,5-diphenylimidazol-4-one

2-amino-3-(5-bromo-2,3-dihydro-1H-inden-1-yl)-5,5-diphenylimidazol-4-one (PubChem CID 59388807) has the molecular formula C24H20BrN3O and a molecular weight of 446.35 g/mol. Its IUPAC name is 2-amino-3-(5-bromo-2,3-dihydro-1H-inden-1-yl)-5,5-diphenylimidazol-4-one.

Molecular Properties

Compound Name2-amino-3-(5-bromo-2,3-dihydro-1H-inden-1-yl)-5,5-diphenylimidazol-4-one
PubChem CID59388807
Molecular FormulaC24H20BrN3O
Molecular Weight446.35 g/mol
Exact Mass445.08
IUPAC Name2-amino-3-(5-bromo-2,3-dihydro-1H-inden-1-yl)-5,5-diphenylimidazol-4-one
SMILESNC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1C1CCc2cc(Br)ccc21
InChIInChI=1S/C24H20BrN3O/c25-19-12-13-20-16(15-19)11-14-21(20)28-22(29)24(27-23(28)26,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,12-13,15,21H,11,14H2,(H2,26,27)
InChIKeyGJNIOFKJGADUPX-UHFFFAOYSA-N
XLogP4.54
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.35
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 58197043
CID 58197043
CID 58197049
CID 58197049
CID 58197177
CID 58197177
CID 58198193
CID 58198193
2-Amino-5,5-bis(4-bromophenyl)-3-cyclohexylimidazol-4-one
CID 86275756
CID 58197624
CID 58197624
CID 58197143
CID 58197143
CID 58197507
CID 58197507
CID 70220421
CID 70220421
2-Amino-3-[(2-bromophenyl)methyl]-5,5-diphenylimidazol-4-one
CID 44530592
CID 157943636
CID 157943636
N-[1-(4-bromophenyl)ethyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
CID 4790705

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(5-bromo-2,3-dihydro-1H-inden-1-yl)-5,5-diphenylimidazol-4-one?
The IUPAC name of 2-amino-3-(5-bromo-2,3-dihydro-1H-inden-1-yl)-5,5-diphenylimidazol-4-one (CID 59388807) is 2-amino-3-(5-bromo-2,3-dihydro-1H-inden-1-yl)-5,5-diphenylimidazol-4-one.
What is the SMILES notation for 2-amino-3-(5-bromo-2,3-dihydro-1H-inden-1-yl)-5,5-diphenylimidazol-4-one?
The canonical SMILES for 2-amino-3-(5-bromo-2,3-dihydro-1H-inden-1-yl)-5,5-diphenylimidazol-4-one is NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1C1CCc2cc(Br)ccc21.
What is the InChIKey of 2-amino-3-(5-bromo-2,3-dihydro-1H-inden-1-yl)-5,5-diphenylimidazol-4-one?
The InChIKey is GJNIOFKJGADUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20BrN3O/c25-19-12-13-20-16(15-19)11-14-21(20)28-22(29)24(27-23(28)26,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,12-13,15,21H,11,14H2,(H2,26,27).
What are the key properties of 2-amino-3-(5-bromo-2,3-dihydro-1H-inden-1-yl)-5,5-diphenylimidazol-4-one?
2-amino-3-(5-bromo-2,3-dihydro-1H-inden-1-yl)-5,5-diphenylimidazol-4-one has a molecular weight of 446.35 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(5-bromo-2,3-dihydro-1H-inden-1-yl)-5,5-diphenylimidazol-4-one is sourced from PubChem (CID 59388807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).