2-(3-bromophenyl)-7-methyl-6-(4-phenylphenyl)imidazo[1,2-a]imidazole

C24H18BrN3 — CID 3370041

IUPAC2-(3-bromophenyl)-7-methyl-6-(4-phenylphenyl)imidazo[1,2-a]imidazole
SMILESCn1c(-c2ccc(-c3ccccc3)cc2)cn2cc(-c3cccc(Br)c3)nc12
InChIInChI=1S/C24H18BrN3/c1-27-23(19-12-10-18(11-13-19)17-6-3-2-4-7-17)16-28-15-22(26-24(27)28)20-8-5-9-21(25)14-20/h2-16H,1H3
InChIKeyKGHYNMNDQZJJHD-UHFFFAOYSA-N
MW428.33 g/mol
LogP6.44
Rot. Bonds3

About 2-(3-bromophenyl)-7-methyl-6-(4-phenylphenyl)imidazo[1,2-a]imidazole

2-(3-bromophenyl)-7-methyl-6-(4-phenylphenyl)imidazo[1,2-a]imidazole (PubChem CID 3370041) has the molecular formula C24H18BrN3 and a molecular weight of 428.33 g/mol. Its IUPAC name is 2-(3-bromophenyl)-7-methyl-6-(4-phenylphenyl)imidazo[1,2-a]imidazole.

Molecular Properties

Compound Name2-(3-bromophenyl)-7-methyl-6-(4-phenylphenyl)imidazo[1,2-a]imidazole
PubChem CID3370041
Molecular FormulaC24H18BrN3
Molecular Weight428.33 g/mol
Exact Mass427.07
IUPAC Name2-(3-bromophenyl)-7-methyl-6-(4-phenylphenyl)imidazo[1,2-a]imidazole
SMILESCn1c(-c2ccc(-c3ccccc3)cc2)cn2cc(-c3cccc(Br)c3)nc12
InChIInChI=1S/C24H18BrN3/c1-27-23(19-12-10-18(11-13-19)17-6-3-2-4-7-17)16-28-15-22(26-24(27)28)20-8-5-9-21(25)14-20/h2-16H,1H3
InChIKeyKGHYNMNDQZJJHD-UHFFFAOYSA-N
XLogP6.44
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.33
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-2-(p-tolyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium bromide
CID 16682272
1-(4-Bromobenzyl)-5-phenyl-1H-imidazole
CID 45103810
1-(4-Bromophenyl)-4-phenylimidazole
CID 3248065
1,2-Diphenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium
CID 16682165
5-Bromo-1-ethyl-3-[(4-fluoro-phenyl)-imidazol-1-yl-methyl]-1H-indole
CID 10046399
1-Bromo-3-methyl-8-[4-(2-methyl-1H-imidazol-1-yl)phenyl]imidazo[1,5-a]pyridine
CID 13810561
5-benzyl-5-(4-bromophenyl)-5H-imidazo[2,1-a]isoindole
CID 46206599
5-(4-Bromophenyl)-5-(pyridin-3-ylmethyl)imidazo[2,1-a]isoindole
CID 46206933
5-(3-bromophenyl)-1-methyl-N-(pyridin-3-ylmethyl)-1H-imidazol-2-amine
CID 644645
3-(4-Fluorophenyl)-1-(4-methylbenzyl)-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium
CID 942525
1-(4-methylbenzyl)-3-(4-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium
CID 1400282
3-Phenyl-1-(2-phenylethyl)-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium
CID 1423323

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-7-methyl-6-(4-phenylphenyl)imidazo[1,2-a]imidazole?
The IUPAC name of 2-(3-bromophenyl)-7-methyl-6-(4-phenylphenyl)imidazo[1,2-a]imidazole (CID 3370041) is 2-(3-bromophenyl)-7-methyl-6-(4-phenylphenyl)imidazo[1,2-a]imidazole.
What is the SMILES notation for 2-(3-bromophenyl)-7-methyl-6-(4-phenylphenyl)imidazo[1,2-a]imidazole?
The canonical SMILES for 2-(3-bromophenyl)-7-methyl-6-(4-phenylphenyl)imidazo[1,2-a]imidazole is Cn1c(-c2ccc(-c3ccccc3)cc2)cn2cc(-c3cccc(Br)c3)nc12.
What is the InChIKey of 2-(3-bromophenyl)-7-methyl-6-(4-phenylphenyl)imidazo[1,2-a]imidazole?
The InChIKey is KGHYNMNDQZJJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18BrN3/c1-27-23(19-12-10-18(11-13-19)17-6-3-2-4-7-17)16-28-15-22(26-24(27)28)20-8-5-9-21(25)14-20/h2-16H,1H3.
What are the key properties of 2-(3-bromophenyl)-7-methyl-6-(4-phenylphenyl)imidazo[1,2-a]imidazole?
2-(3-bromophenyl)-7-methyl-6-(4-phenylphenyl)imidazo[1,2-a]imidazole has a molecular weight of 428.33 g/mol, XLogP of 6.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-7-methyl-6-(4-phenylphenyl)imidazo[1,2-a]imidazole is sourced from PubChem (CID 3370041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).