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

C20H16BrCl2N3O — CID 11351766

IUPAC5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-3,5-dimethylimidazo[1,2-a]imidazol-6-one
SMILESCc1cnc2n1C(C)(Cc1ccc(Br)cc1)C(=O)N2c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C20H16BrCl2N3O/c1-12-11-24-19-25(17-8-15(22)7-16(23)9-17)18(27)20(2,26(12)19)10-13-3-5-14(21)6-4-13/h3-9,11H,10H2,1-2H3
InChIKeyJCZHZSQAEMZHAT-UHFFFAOYSA-N
MW465.18 g/mol
LogP5.90
Rot. Bonds3

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

5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-3,5-dimethylimidazo[1,2-a]imidazol-6-one (PubChem CID 11351766) has the molecular formula C20H16BrCl2N3O and a molecular weight of 465.18 g/mol. Its IUPAC name is 5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-3,5-dimethylimidazo[1,2-a]imidazol-6-one.

Molecular Properties

Compound Name5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-3,5-dimethylimidazo[1,2-a]imidazol-6-one
PubChem CID11351766
Molecular FormulaC20H16BrCl2N3O
Molecular Weight465.18 g/mol
Exact Mass462.99
IUPAC Name5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-3,5-dimethylimidazo[1,2-a]imidazol-6-one
SMILESCc1cnc2n1C(C)(Cc1ccc(Br)cc1)C(=O)N2c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C20H16BrCl2N3O/c1-12-11-24-19-25(17-8-15(22)7-16(23)9-17)18(27)20(2,26(12)19)10-13-3-5-14(21)6-4-13/h3-9,11H,10H2,1-2H3
InChIKeyJCZHZSQAEMZHAT-UHFFFAOYSA-N
XLogP5.90
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.18
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-3,5-dimethylimidazo[1,2-a]imidazol-6-one?
The IUPAC name of 5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-3,5-dimethylimidazo[1,2-a]imidazol-6-one (CID 11351766) is 5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-3,5-dimethylimidazo[1,2-a]imidazol-6-one.
What is the SMILES notation for 5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-3,5-dimethylimidazo[1,2-a]imidazol-6-one?
The canonical SMILES for 5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-3,5-dimethylimidazo[1,2-a]imidazol-6-one is Cc1cnc2n1C(C)(Cc1ccc(Br)cc1)C(=O)N2c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-3,5-dimethylimidazo[1,2-a]imidazol-6-one?
The InChIKey is JCZHZSQAEMZHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrCl2N3O/c1-12-11-24-19-25(17-8-15(22)7-16(23)9-17)18(27)20(2,26(12)19)10-13-3-5-14(21)6-4-13/h3-9,11H,10H2,1-2H3.
What are the key properties of 5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-3,5-dimethylimidazo[1,2-a]imidazol-6-one?
5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-3,5-dimethylimidazo[1,2-a]imidazol-6-one has a molecular weight of 465.18 g/mol, XLogP of 5.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-3,5-dimethylimidazo[1,2-a]imidazol-6-one is sourced from PubChem (CID 11351766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).