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

C17H17ClN4OS — CID 71797232

IUPAC1-(2-chlorophenyl)-3-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]urea
SMILESCn1cc(-c2cccs2)nc1CCNC(=O)Nc1ccccc1Cl
InChIInChI=1S/C17H17ClN4OS/c1-22-11-14(15-7-4-10-24-15)20-16(22)8-9-19-17(23)21-13-6-3-2-5-12(13)18/h2-7,10-11H,8-9H2,1H3,(H2,19,21,23)
InChIKeyYYTQIFRGLFEXQO-UHFFFAOYSA-N
MW360.87 g/mol
LogP4.17
Rot. Bonds5

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

1-(2-chlorophenyl)-3-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]urea (PubChem CID 71797232) has the molecular formula C17H17ClN4OS and a molecular weight of 360.87 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]urea
PubChem CID71797232
Molecular FormulaC17H17ClN4OS
Molecular Weight360.87 g/mol
Exact Mass360.08
IUPAC Name1-(2-chlorophenyl)-3-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]urea
SMILESCn1cc(-c2cccs2)nc1CCNC(=O)Nc1ccccc1Cl
InChIInChI=1S/C17H17ClN4OS/c1-22-11-14(15-7-4-10-24-15)20-16(22)8-9-19-17(23)21-13-6-3-2-5-12(13)18/h2-7,10-11H,8-9H2,1H3,(H2,19,21,23)
InChIKeyYYTQIFRGLFEXQO-UHFFFAOYSA-N
XLogP4.17
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.87
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]urea (CID 71797232) is 1-(2-chlorophenyl)-3-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]urea is Cn1cc(-c2cccs2)nc1CCNC(=O)Nc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]urea?
The InChIKey is YYTQIFRGLFEXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4OS/c1-22-11-14(15-7-4-10-24-15)20-16(22)8-9-19-17(23)21-13-6-3-2-5-12(13)18/h2-7,10-11H,8-9H2,1H3,(H2,19,21,23).
What are the key properties of 1-(2-chlorophenyl)-3-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]urea?
1-(2-chlorophenyl)-3-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]urea has a molecular weight of 360.87 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]urea is sourced from PubChem (CID 71797232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).