4-(2-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-5-thiophen-2-ylimidazole

C22H20N2O2S — CID 52931629

IUPAC4-(2-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-5-thiophen-2-ylimidazole
SMILESCOc1cccc(Cn2cnc(-c3ccccc3OC)c2-c2cccs2)c1
InChIInChI=1S/C22H20N2O2S/c1-25-17-8-5-7-16(13-17)14-24-15-23-21(22(24)20-11-6-12-27-20)18-9-3-4-10-19(18)26-2/h3-13,15H,14H2,1-2H3
InChIKeyUCZXIBBRFSAVQO-UHFFFAOYSA-N
MW376.48 g/mol
LogP5.34
Rot. Bonds6

About 4-(2-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-5-thiophen-2-ylimidazole

4-(2-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-5-thiophen-2-ylimidazole (PubChem CID 52931629) has the molecular formula C22H20N2O2S and a molecular weight of 376.48 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-5-thiophen-2-ylimidazole.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-5-thiophen-2-ylimidazole
PubChem CID52931629
Molecular FormulaC22H20N2O2S
Molecular Weight376.48 g/mol
Exact Mass376.12
IUPAC Name4-(2-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-5-thiophen-2-ylimidazole
SMILESCOc1cccc(Cn2cnc(-c3ccccc3OC)c2-c2cccs2)c1
InChIInChI=1S/C22H20N2O2S/c1-25-17-8-5-7-16(13-17)14-24-15-23-21(22(24)20-11-6-12-27-20)18-9-3-4-10-19(18)26-2/h3-13,15H,14H2,1-2H3
InChIKeyUCZXIBBRFSAVQO-UHFFFAOYSA-N
XLogP5.34
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.48
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-5-thiophen-2-ylimidazole?
The IUPAC name of 4-(2-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-5-thiophen-2-ylimidazole (CID 52931629) is 4-(2-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-5-thiophen-2-ylimidazole.
What is the SMILES notation for 4-(2-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-5-thiophen-2-ylimidazole?
The canonical SMILES for 4-(2-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-5-thiophen-2-ylimidazole is COc1cccc(Cn2cnc(-c3ccccc3OC)c2-c2cccs2)c1.
What is the InChIKey of 4-(2-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-5-thiophen-2-ylimidazole?
The InChIKey is UCZXIBBRFSAVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2S/c1-25-17-8-5-7-16(13-17)14-24-15-23-21(22(24)20-11-6-12-27-20)18-9-3-4-10-19(18)26-2/h3-13,15H,14H2,1-2H3.
What are the key properties of 4-(2-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-5-thiophen-2-ylimidazole?
4-(2-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-5-thiophen-2-ylimidazole has a molecular weight of 376.48 g/mol, XLogP of 5.34, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-5-thiophen-2-ylimidazole is sourced from PubChem (CID 52931629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).