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

C19H13BrCl2IN3O — CID 11786512

IUPAC5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-3-iodo-5-methylimidazo[1,2-a]imidazol-6-one
SMILESCC1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(I)n21
InChIInChI=1S/C19H13BrCl2IN3O/c1-19(9-11-2-4-12(20)5-3-11)17(27)25(18-24-10-16(23)26(18)19)15-7-13(21)6-14(22)8-15/h2-8,10H,9H2,1H3
InChIKeyIVETWPTYQWRCOV-UHFFFAOYSA-N
MW577.05 g/mol
LogP6.19
Rot. Bonds3

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

5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-3-iodo-5-methylimidazo[1,2-a]imidazol-6-one (PubChem CID 11786512) has the molecular formula C19H13BrCl2IN3O and a molecular weight of 577.05 g/mol. Its IUPAC name is 5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-3-iodo-5-methylimidazo[1,2-a]imidazol-6-one.

Molecular Properties

Compound Name5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-3-iodo-5-methylimidazo[1,2-a]imidazol-6-one
PubChem CID11786512
Molecular FormulaC19H13BrCl2IN3O
Molecular Weight577.05 g/mol
Exact Mass574.87
IUPAC Name5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-3-iodo-5-methylimidazo[1,2-a]imidazol-6-one
SMILESCC1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(I)n21
InChIInChI=1S/C19H13BrCl2IN3O/c1-19(9-11-2-4-12(20)5-3-11)17(27)25(18-24-10-16(23)26(18)19)15-7-13(21)6-14(22)8-15/h2-8,10H,9H2,1H3
InChIKeyIVETWPTYQWRCOV-UHFFFAOYSA-N
XLogP6.19
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.05
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(R)-3-(4-Bromo-benzyl)-1-(3,5-dichloro-phenyl)-3-methyl-5-(piperazine-1-sulfonyl)-1H-imidazo[1,2-a]imidazol-2-one
CID 9851637
(R)-3-(4-Bromo-benzyl)-1-(3,5-dichloro-phenyl)-5-methanesulfonyl-3-methyl-1H-imidazo[1,2-a]imidazol-2-one
CID 9893174
(R)-3-(4-Bromo-benzyl)-1-(3,5-dichloro-phenyl)-3-methyl-1H-imidazo[1,2-a]imidazol-2-one
CID 9911635
5-(4-Bromo-benzyl)-7-(3,5-dichloro-phenyl)-5-methyl-6-oxo-6,7-dihydro-5H-imidazo[1,2-a]imidazole-2-carbonitrile
CID 11225297
3-(4-Bromo-benzyl)-1-(3,5-dichloro-phenyl)-6-methanesulfonyl-3-methyl-1H-imidazo[1,2-a]imidazol-2-one
CID 11249524
3-(4-Bromo-benzyl)-1-(3,5-dichloro-phenyl)-3,5-dimethyl-1H-imidazo[1,2-a]imidazol-2-one
CID 11351766
5-(4-Bromo-benzyl)-7-(3,5-dichloro-phenyl)-5-methyl-7H-imidazo[2,1-c][1,2,4]triazol-6-one
CID 11374390
3-(4-Bromo-benzyl)-1-(3,5-dichloro-phenyl)-3-methyl-1H-imidazo[1,2-a]imidazol-2-one
CID 11430863
6-Bromo-3-(4-bromo-benzyl)-1-(3,5-dichloro-phenyl)-3-methyl-1H-imidazo[1,2-a]imidazol-2-one
CID 11752897
5-Bromo-3-(4-bromo-benzyl)-1-(3,5-dichloro-phenyl)-3-methyl-1H-imidazo[1,2-a]imidazol-2-one
CID 18337869
3-(4-Bromo-benzyl)-1-(3,5-dichloro-phenyl)-5-methanesulfonyl-3-methyl-1H-imidazo[1,2-a]imidazol-2-one
CID 18338040
(R)-3-(4-Bromo-benzyl)-1-(3,5-dichloro-phenyl)-5-(3-methoxy-propane-1-sulfonyl)-3-methyl-1H-imidazo[1,2-a]imidazol-2-one
CID 44396839

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-3-iodo-5-methylimidazo[1,2-a]imidazol-6-one?
The IUPAC name of 5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-3-iodo-5-methylimidazo[1,2-a]imidazol-6-one (CID 11786512) is 5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-3-iodo-5-methylimidazo[1,2-a]imidazol-6-one.
What is the SMILES notation for 5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-3-iodo-5-methylimidazo[1,2-a]imidazol-6-one?
The canonical SMILES for 5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-3-iodo-5-methylimidazo[1,2-a]imidazol-6-one is CC1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(I)n21.
What is the InChIKey of 5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-3-iodo-5-methylimidazo[1,2-a]imidazol-6-one?
The InChIKey is IVETWPTYQWRCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrCl2IN3O/c1-19(9-11-2-4-12(20)5-3-11)17(27)25(18-24-10-16(23)26(18)19)15-7-13(21)6-14(22)8-15/h2-8,10H,9H2,1H3.
What are the key properties of 5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-3-iodo-5-methylimidazo[1,2-a]imidazol-6-one?
5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-3-iodo-5-methylimidazo[1,2-a]imidazol-6-one has a molecular weight of 577.05 g/mol, XLogP of 6.19, 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-iodo-5-methylimidazo[1,2-a]imidazol-6-one is sourced from PubChem (CID 11786512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).