(4-phenyl-1-thiophen-2-ylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone

C23H20N2O4S — CID 71719226

IUPAC(4-phenyl-1-thiophen-2-ylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2nc(-c3ccccc3)cn2-c2cccs2)cc(OC)c1OC
InChIInChI=1S/C23H20N2O4S/c1-27-18-12-16(13-19(28-2)22(18)29-3)21(26)23-24-17(15-8-5-4-6-9-15)14-25(23)20-10-7-11-30-20/h4-14H,1-3H3
InChIKeyJMSIBGPHQDDXMV-UHFFFAOYSA-N
MW420.49 g/mol
LogP4.86
Rot. Bonds7

About (4-phenyl-1-thiophen-2-ylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone

(4-phenyl-1-thiophen-2-ylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 71719226) has the molecular formula C23H20N2O4S and a molecular weight of 420.49 g/mol. Its IUPAC name is (4-phenyl-1-thiophen-2-ylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(4-phenyl-1-thiophen-2-ylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID71719226
Molecular FormulaC23H20N2O4S
Molecular Weight420.49 g/mol
Exact Mass420.11
IUPAC Name(4-phenyl-1-thiophen-2-ylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2nc(-c3ccccc3)cn2-c2cccs2)cc(OC)c1OC
InChIInChI=1S/C23H20N2O4S/c1-27-18-12-16(13-19(28-2)22(18)29-3)21(26)23-24-17(15-8-5-4-6-9-15)14-25(23)20-10-7-11-30-20/h4-14H,1-3H3
InChIKeyJMSIBGPHQDDXMV-UHFFFAOYSA-N
XLogP4.86
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4-phenyl-1-thiophen-2-ylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (4-phenyl-1-thiophen-2-ylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 71719226) is (4-phenyl-1-thiophen-2-ylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (4-phenyl-1-thiophen-2-ylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (4-phenyl-1-thiophen-2-ylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2nc(-c3ccccc3)cn2-c2cccs2)cc(OC)c1OC.
What is the InChIKey of (4-phenyl-1-thiophen-2-ylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is JMSIBGPHQDDXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4S/c1-27-18-12-16(13-19(28-2)22(18)29-3)21(26)23-24-17(15-8-5-4-6-9-15)14-25(23)20-10-7-11-30-20/h4-14H,1-3H3.
What are the key properties of (4-phenyl-1-thiophen-2-ylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
(4-phenyl-1-thiophen-2-ylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 420.49 g/mol, XLogP of 4.86, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenyl-1-thiophen-2-ylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 71719226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).