N-[5-(4-bromophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]-4,6-dimethylpyrimidin-2-amine

C22H20BrN5O — CID 17121989

IUPACN-[5-(4-bromophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]-4,6-dimethylpyrimidin-2-amine
SMILESCOc1ccc(-n2c(-c3ccc(Br)cc3)cnc2Nc2nc(C)cc(C)n2)cc1
InChIInChI=1S/C22H20BrN5O/c1-14-12-15(2)26-21(25-14)27-22-24-13-20(16-4-6-17(23)7-5-16)28(22)18-8-10-19(29-3)11-9-18/h4-13H,1-3H3,(H,24,25,26,27)
InChIKeyLYGYATOSBHHXGY-UHFFFAOYSA-N
MW450.34 g/mol
LogP5.46
Rot. Bonds5

About N-[5-(4-bromophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]-4,6-dimethylpyrimidin-2-amine

N-[5-(4-bromophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]-4,6-dimethylpyrimidin-2-amine (PubChem CID 17121989) has the molecular formula C22H20BrN5O and a molecular weight of 450.34 g/mol. Its IUPAC name is N-[5-(4-bromophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[5-(4-bromophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]-4,6-dimethylpyrimidin-2-amine
PubChem CID17121989
Molecular FormulaC22H20BrN5O
Molecular Weight450.34 g/mol
Exact Mass449.09
IUPAC NameN-[5-(4-bromophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]-4,6-dimethylpyrimidin-2-amine
SMILESCOc1ccc(-n2c(-c3ccc(Br)cc3)cnc2Nc2nc(C)cc(C)n2)cc1
InChIInChI=1S/C22H20BrN5O/c1-14-12-15(2)26-21(25-14)27-22-24-13-20(16-4-6-17(23)7-5-16)28(22)18-8-10-19(29-3)11-9-18/h4-13H,1-3H3,(H,24,25,26,27)
InChIKeyLYGYATOSBHHXGY-UHFFFAOYSA-N
XLogP5.46
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.34
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-bromophenyl)-5-[5-(4-bromophenyl)-1-(4-methoxyphenyl)pyrrol-2-yl]-1-(4-methoxyphenyl)pyrrole
CID 86230996
3-(4-bromophenyl)-4-(4-methoxyphenyl)-5-methyl-1,2,4-triazole
CID 58997471
1-(4-bromophenyl)-2-[4-(4-methoxyphenyl)phenyl]-5-methylpyrrole
CID 22387522
5-(4-bromophenyl)-N-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-amine
CID 4000715
1-(4-bromophenyl)-2-(4-methoxyphenyl)-5-propylpyrrole
CID 22387550
1-(4-bromophenyl)-2-(4-methoxyphenyl)benzimidazole
CID 134817006
1-(4-methoxyphenyl)-4,6-dimethylpyrimidin-2-one
CID 612085
4-N-(4,6-dimethylpyrimidin-2-yl)-1-N-[6-(4-methoxyphenyl)pyridazin-3-yl]benzene-1,4-diamine
CID 108777599
2-(4-bromophenyl)-5-[4-(4-bromophenyl)buta-1,3-diynyl]-1-(4-methoxyphenyl)pyrrole
CID 101384824
2-[[4,5-bis(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-bromophenyl)ethanone
CID 51057075
1-(4-methoxyphenyl)-4,6-dimethylpyrimidin-2-one;hydrochloride
CID 5337650
2-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-methylimidazol-1-yl]phenol
CID 23766969

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-bromophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-[5-(4-bromophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]-4,6-dimethylpyrimidin-2-amine (CID 17121989) is N-[5-(4-bromophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-[5-(4-bromophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-[5-(4-bromophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]-4,6-dimethylpyrimidin-2-amine is COc1ccc(-n2c(-c3ccc(Br)cc3)cnc2Nc2nc(C)cc(C)n2)cc1.
What is the InChIKey of N-[5-(4-bromophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]-4,6-dimethylpyrimidin-2-amine?
The InChIKey is LYGYATOSBHHXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrN5O/c1-14-12-15(2)26-21(25-14)27-22-24-13-20(16-4-6-17(23)7-5-16)28(22)18-8-10-19(29-3)11-9-18/h4-13H,1-3H3,(H,24,25,26,27).
What are the key properties of N-[5-(4-bromophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]-4,6-dimethylpyrimidin-2-amine?
N-[5-(4-bromophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]-4,6-dimethylpyrimidin-2-amine has a molecular weight of 450.34 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-bromophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 17121989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).