2-(3-chlorophenyl)-6-(3,4-dimethylphenyl)-7-methylimidazo[1,2-a]imidazole

C20H18ClN3 — CID 3912413

IUPAC2-(3-chlorophenyl)-6-(3,4-dimethylphenyl)-7-methylimidazo[1,2-a]imidazole
SMILESCc1ccc(-c2cn3cc(-c4cccc(Cl)c4)nc3n2C)cc1C
InChIInChI=1S/C20H18ClN3/c1-13-7-8-16(9-14(13)2)19-12-24-11-18(22-20(24)23(19)3)15-5-4-6-17(21)10-15/h4-12H,1-3H3
InChIKeyBHCJMNZWPLFIPT-UHFFFAOYSA-N
MW335.84 g/mol
LogP5.28
Rot. Bonds2

About 2-(3-chlorophenyl)-6-(3,4-dimethylphenyl)-7-methylimidazo[1,2-a]imidazole

2-(3-chlorophenyl)-6-(3,4-dimethylphenyl)-7-methylimidazo[1,2-a]imidazole (PubChem CID 3912413) has the molecular formula C20H18ClN3 and a molecular weight of 335.84 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-6-(3,4-dimethylphenyl)-7-methylimidazo[1,2-a]imidazole.

Molecular Properties

Compound Name2-(3-chlorophenyl)-6-(3,4-dimethylphenyl)-7-methylimidazo[1,2-a]imidazole
PubChem CID3912413
Molecular FormulaC20H18ClN3
Molecular Weight335.84 g/mol
Exact Mass335.12
IUPAC Name2-(3-chlorophenyl)-6-(3,4-dimethylphenyl)-7-methylimidazo[1,2-a]imidazole
SMILESCc1ccc(-c2cn3cc(-c4cccc(Cl)c4)nc3n2C)cc1C
InChIInChI=1S/C20H18ClN3/c1-13-7-8-16(9-14(13)2)19-12-24-11-18(22-20(24)23(19)3)15-5-4-6-17(21)10-15/h4-12H,1-3H3
InChIKeyBHCJMNZWPLFIPT-UHFFFAOYSA-N
XLogP5.28
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.84
LogP ≤ 55.28
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-Chlorobenzyl)-5-phenyl-1H-imidazole
CID 45103809
1-(4-chlorobenzyl)-3-(4-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium chloride
CID 16682378
1-(4-Chloro-benzyl)-3-p-tolyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium
CID 16682344
2-(4-chlorophenyl)-1-(p-tolyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium bromide
CID 16682538
1-(3,4-Dichloro-benzyl)-3-p-tolyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium
CID 12005697
2-(3,4-dichlorophenyl)-5H-imidazo[2,1-a]isoindole
CID 917084
3-(4-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 938845
3-(4-chlorophenyl)-1-[(3,4-dichlorophenyl)methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium
CID 1387333
1-(2-Chlorobenzyl)-3-(3,4-dichlorophenyl)-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium
CID 1399892
N-((2-chloro-1-mesityl-6-(trifluoromethyl)-1H-imidazo[1,2-a]imidazol-5-yl)methyl)-N-ethyl-2-phenylethanamine
CID 10228129
N-((2-chloro-1-mesityl-6-(trifluoromethyl)-1H-imidazo[1,2-a]imidazol-5-yl)methyl)-N-(4-chlorobenzyl)propan-1-amine
CID 21916258

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-6-(3,4-dimethylphenyl)-7-methylimidazo[1,2-a]imidazole?
The IUPAC name of 2-(3-chlorophenyl)-6-(3,4-dimethylphenyl)-7-methylimidazo[1,2-a]imidazole (CID 3912413) is 2-(3-chlorophenyl)-6-(3,4-dimethylphenyl)-7-methylimidazo[1,2-a]imidazole.
What is the SMILES notation for 2-(3-chlorophenyl)-6-(3,4-dimethylphenyl)-7-methylimidazo[1,2-a]imidazole?
The canonical SMILES for 2-(3-chlorophenyl)-6-(3,4-dimethylphenyl)-7-methylimidazo[1,2-a]imidazole is Cc1ccc(-c2cn3cc(-c4cccc(Cl)c4)nc3n2C)cc1C.
What is the InChIKey of 2-(3-chlorophenyl)-6-(3,4-dimethylphenyl)-7-methylimidazo[1,2-a]imidazole?
The InChIKey is BHCJMNZWPLFIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3/c1-13-7-8-16(9-14(13)2)19-12-24-11-18(22-20(24)23(19)3)15-5-4-6-17(21)10-15/h4-12H,1-3H3.
What are the key properties of 2-(3-chlorophenyl)-6-(3,4-dimethylphenyl)-7-methylimidazo[1,2-a]imidazole?
2-(3-chlorophenyl)-6-(3,4-dimethylphenyl)-7-methylimidazo[1,2-a]imidazole has a molecular weight of 335.84 g/mol, XLogP of 5.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-6-(3,4-dimethylphenyl)-7-methylimidazo[1,2-a]imidazole is sourced from PubChem (CID 3912413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).