2-bromo-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methylimidazo[1,2-a]imidazol-6-one

C19H13Br2Cl2N3O — CID 11752897

IUPAC2-bromo-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methylimidazo[1,2-a]imidazol-6-one
SMILESCC1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2nc(Br)cn21
InChIInChI=1S/C19H13Br2Cl2N3O/c1-19(9-11-2-4-12(20)5-3-11)17(27)26(18-24-16(21)10-25(18)19)15-7-13(22)6-14(23)8-15/h2-8,10H,9H2,1H3
InChIKeyLXBNAFUQTGPRDK-UHFFFAOYSA-N
MW530.05 g/mol
LogP6.35
Rot. Bonds3

About 2-bromo-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methylimidazo[1,2-a]imidazol-6-one

2-bromo-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methylimidazo[1,2-a]imidazol-6-one (PubChem CID 11752897) has the molecular formula C19H13Br2Cl2N3O and a molecular weight of 530.05 g/mol. Its IUPAC name is 2-bromo-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methylimidazo[1,2-a]imidazol-6-one.

Molecular Properties

Compound Name2-bromo-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methylimidazo[1,2-a]imidazol-6-one
PubChem CID11752897
Molecular FormulaC19H13Br2Cl2N3O
Molecular Weight530.05 g/mol
Exact Mass526.88
IUPAC Name2-bromo-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methylimidazo[1,2-a]imidazol-6-one
SMILESCC1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2nc(Br)cn21
InChIInChI=1S/C19H13Br2Cl2N3O/c1-19(9-11-2-4-12(20)5-3-11)17(27)26(18-24-16(21)10-25(18)19)15-7-13(22)6-14(23)8-15/h2-8,10H,9H2,1H3
InChIKeyLXBNAFUQTGPRDK-UHFFFAOYSA-N
XLogP6.35
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.05
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-bromo-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methylimidazo[1,2-a]imidazol-6-one 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 2-bromo-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methylimidazo[1,2-a]imidazol-6-one?
The IUPAC name of 2-bromo-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methylimidazo[1,2-a]imidazol-6-one (CID 11752897) is 2-bromo-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methylimidazo[1,2-a]imidazol-6-one.
What is the SMILES notation for 2-bromo-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methylimidazo[1,2-a]imidazol-6-one?
The canonical SMILES for 2-bromo-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methylimidazo[1,2-a]imidazol-6-one is CC1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2nc(Br)cn21.
What is the InChIKey of 2-bromo-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methylimidazo[1,2-a]imidazol-6-one?
The InChIKey is LXBNAFUQTGPRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Br2Cl2N3O/c1-19(9-11-2-4-12(20)5-3-11)17(27)26(18-24-16(21)10-25(18)19)15-7-13(22)6-14(23)8-15/h2-8,10H,9H2,1H3.
What are the key properties of 2-bromo-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methylimidazo[1,2-a]imidazol-6-one?
2-bromo-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methylimidazo[1,2-a]imidazol-6-one has a molecular weight of 530.05 g/mol, XLogP of 6.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methylimidazo[1,2-a]imidazol-6-one is sourced from PubChem (CID 11752897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).