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

C19H13Br2Cl2N3O — CID 18337869

IUPAC3-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)c2ncc(Br)n21
InChIInChI=1S/C19H13Br2Cl2N3O/c1-19(9-11-2-4-12(20)5-3-11)17(27)25(18-24-10-16(21)26(18)19)15-7-13(22)6-14(23)8-15/h2-8,10H,9H2,1H3
InChIKeyRPDQFVCWMZSDOT-UHFFFAOYSA-N
MW530.05 g/mol
LogP6.35
Rot. Bonds3

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

3-bromo-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methylimidazo[1,2-a]imidazol-6-one (PubChem CID 18337869) has the molecular formula C19H13Br2Cl2N3O and a molecular weight of 530.05 g/mol. Its IUPAC name is 3-bromo-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methylimidazo[1,2-a]imidazol-6-one.

Molecular Properties

Compound Name3-bromo-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methylimidazo[1,2-a]imidazol-6-one
PubChem CID18337869
Molecular FormulaC19H13Br2Cl2N3O
Molecular Weight530.05 g/mol
Exact Mass526.88
IUPAC Name3-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)c2ncc(Br)n21
InChIInChI=1S/C19H13Br2Cl2N3O/c1-19(9-11-2-4-12(20)5-3-11)17(27)25(18-24-10-16(21)26(18)19)15-7-13(22)6-14(23)8-15/h2-8,10H,9H2,1H3
InChIKeyRPDQFVCWMZSDOT-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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methylimidazo[1,2-a]imidazol-6-one?
The IUPAC name of 3-bromo-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methylimidazo[1,2-a]imidazol-6-one (CID 18337869) is 3-bromo-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methylimidazo[1,2-a]imidazol-6-one.
What is the SMILES notation for 3-bromo-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methylimidazo[1,2-a]imidazol-6-one?
The canonical SMILES for 3-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)c2ncc(Br)n21.
What is the InChIKey of 3-bromo-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methylimidazo[1,2-a]imidazol-6-one?
The InChIKey is RPDQFVCWMZSDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Br2Cl2N3O/c1-19(9-11-2-4-12(20)5-3-11)17(27)25(18-24-10-16(21)26(18)19)15-7-13(22)6-14(23)8-15/h2-8,10H,9H2,1H3.
What are the key properties of 3-bromo-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methylimidazo[1,2-a]imidazol-6-one?
3-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 3-bromo-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methylimidazo[1,2-a]imidazol-6-one is sourced from PubChem (CID 18337869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).