1-(2-ethoxyphenyl)-3-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]urea

C19H22N4O2S — CID 71797234

IUPAC1-(2-ethoxyphenyl)-3-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]urea
SMILESCCOc1ccccc1NC(=O)NCCc1nc(-c2cccs2)cn1C
InChIInChI=1S/C19H22N4O2S/c1-3-25-16-8-5-4-7-14(16)22-19(24)20-11-10-18-21-15(13-23(18)2)17-9-6-12-26-17/h4-9,12-13H,3,10-11H2,1-2H3,(H2,20,22,24)
InChIKeyAFDHIRIQJBLJMK-UHFFFAOYSA-N
MW370.48 g/mol
LogP3.91
Rot. Bonds7

About 1-(2-ethoxyphenyl)-3-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]urea

1-(2-ethoxyphenyl)-3-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]urea (PubChem CID 71797234) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-3-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-3-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]urea
PubChem CID71797234
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name1-(2-ethoxyphenyl)-3-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]urea
SMILESCCOc1ccccc1NC(=O)NCCc1nc(-c2cccs2)cn1C
InChIInChI=1S/C19H22N4O2S/c1-3-25-16-8-5-4-7-14(16)22-19(24)20-11-10-18-21-15(13-23(18)2)17-9-6-12-26-17/h4-9,12-13H,3,10-11H2,1-2H3,(H2,20,22,24)
InChIKeyAFDHIRIQJBLJMK-UHFFFAOYSA-N
XLogP3.91
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-3-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]urea?
The IUPAC name of 1-(2-ethoxyphenyl)-3-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]urea (CID 71797234) is 1-(2-ethoxyphenyl)-3-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-(2-ethoxyphenyl)-3-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]urea?
The canonical SMILES for 1-(2-ethoxyphenyl)-3-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]urea is CCOc1ccccc1NC(=O)NCCc1nc(-c2cccs2)cn1C.
What is the InChIKey of 1-(2-ethoxyphenyl)-3-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]urea?
The InChIKey is AFDHIRIQJBLJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-3-25-16-8-5-4-7-14(16)22-19(24)20-11-10-18-21-15(13-23(18)2)17-9-6-12-26-17/h4-9,12-13H,3,10-11H2,1-2H3,(H2,20,22,24).
What are the key properties of 1-(2-ethoxyphenyl)-3-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]urea?
1-(2-ethoxyphenyl)-3-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]urea has a molecular weight of 370.48 g/mol, XLogP of 3.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-3-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]urea is sourced from PubChem (CID 71797234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).