5-(3-bromo-2,4-dimethoxyphenyl)-4-(4-bromo-3,5-dimethoxyphenyl)-1-methylimidazole

C20H20Br2N2O4 — CID 46174759

IUPAC5-(3-bromo-2,4-dimethoxyphenyl)-4-(4-bromo-3,5-dimethoxyphenyl)-1-methylimidazole
SMILESCOc1cc(-c2ncn(C)c2-c2ccc(OC)c(Br)c2OC)cc(OC)c1Br
InChIInChI=1S/C20H20Br2N2O4/c1-24-10-23-18(11-8-14(26-3)16(21)15(9-11)27-4)19(24)12-6-7-13(25-2)17(22)20(12)28-5/h6-10H,1-5H3
InChIKeyXSLHIPBITUEKNS-UHFFFAOYSA-N
MW512.20 g/mol
LogP5.31
Rot. Bonds6

About 5-(3-bromo-2,4-dimethoxyphenyl)-4-(4-bromo-3,5-dimethoxyphenyl)-1-methylimidazole

5-(3-bromo-2,4-dimethoxyphenyl)-4-(4-bromo-3,5-dimethoxyphenyl)-1-methylimidazole (PubChem CID 46174759) has the molecular formula C20H20Br2N2O4 and a molecular weight of 512.20 g/mol. Its IUPAC name is 5-(3-bromo-2,4-dimethoxyphenyl)-4-(4-bromo-3,5-dimethoxyphenyl)-1-methylimidazole.

Molecular Properties

Compound Name5-(3-bromo-2,4-dimethoxyphenyl)-4-(4-bromo-3,5-dimethoxyphenyl)-1-methylimidazole
PubChem CID46174759
Molecular FormulaC20H20Br2N2O4
Molecular Weight512.20 g/mol
Exact Mass509.98
IUPAC Name5-(3-bromo-2,4-dimethoxyphenyl)-4-(4-bromo-3,5-dimethoxyphenyl)-1-methylimidazole
SMILESCOc1cc(-c2ncn(C)c2-c2ccc(OC)c(Br)c2OC)cc(OC)c1Br
InChIInChI=1S/C20H20Br2N2O4/c1-24-10-23-18(11-8-14(26-3)16(21)15(9-11)27-4)19(24)12-6-7-13(25-2)17(22)20(12)28-5/h6-10H,1-5H3
InChIKeyXSLHIPBITUEKNS-UHFFFAOYSA-N
XLogP5.31
TPSA54.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.20
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-2,4-dimethoxyphenyl)-4-(4-bromo-3,5-dimethoxyphenyl)-1-methylimidazole?
The IUPAC name of 5-(3-bromo-2,4-dimethoxyphenyl)-4-(4-bromo-3,5-dimethoxyphenyl)-1-methylimidazole (CID 46174759) is 5-(3-bromo-2,4-dimethoxyphenyl)-4-(4-bromo-3,5-dimethoxyphenyl)-1-methylimidazole.
What is the SMILES notation for 5-(3-bromo-2,4-dimethoxyphenyl)-4-(4-bromo-3,5-dimethoxyphenyl)-1-methylimidazole?
The canonical SMILES for 5-(3-bromo-2,4-dimethoxyphenyl)-4-(4-bromo-3,5-dimethoxyphenyl)-1-methylimidazole is COc1cc(-c2ncn(C)c2-c2ccc(OC)c(Br)c2OC)cc(OC)c1Br.
What is the InChIKey of 5-(3-bromo-2,4-dimethoxyphenyl)-4-(4-bromo-3,5-dimethoxyphenyl)-1-methylimidazole?
The InChIKey is XSLHIPBITUEKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Br2N2O4/c1-24-10-23-18(11-8-14(26-3)16(21)15(9-11)27-4)19(24)12-6-7-13(25-2)17(22)20(12)28-5/h6-10H,1-5H3.
What are the key properties of 5-(3-bromo-2,4-dimethoxyphenyl)-4-(4-bromo-3,5-dimethoxyphenyl)-1-methylimidazole?
5-(3-bromo-2,4-dimethoxyphenyl)-4-(4-bromo-3,5-dimethoxyphenyl)-1-methylimidazole has a molecular weight of 512.20 g/mol, XLogP of 5.31, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-2,4-dimethoxyphenyl)-4-(4-bromo-3,5-dimethoxyphenyl)-1-methylimidazole is sourced from PubChem (CID 46174759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).