1-[1-(4-imidazol-1-ylphenyl)ethyl]-3-(2-thiophen-2-ylethyl)urea

C18H20N4OS — CID 42928191

IUPAC1-[1-(4-imidazol-1-ylphenyl)ethyl]-3-(2-thiophen-2-ylethyl)urea
SMILESCC(NC(=O)NCCc1cccs1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C18H20N4OS/c1-14(21-18(23)20-9-8-17-3-2-12-24-17)15-4-6-16(7-5-15)22-11-10-19-13-22/h2-7,10-14H,8-9H2,1H3,(H2,20,21,23)
InChIKeyLZBLPABNWIZNCT-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.54
Rot. Bonds6

About 1-[1-(4-imidazol-1-ylphenyl)ethyl]-3-(2-thiophen-2-ylethyl)urea

1-[1-(4-imidazol-1-ylphenyl)ethyl]-3-(2-thiophen-2-ylethyl)urea (PubChem CID 42928191) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is 1-[1-(4-imidazol-1-ylphenyl)ethyl]-3-(2-thiophen-2-ylethyl)urea.

Molecular Properties

Compound Name1-[1-(4-imidazol-1-ylphenyl)ethyl]-3-(2-thiophen-2-ylethyl)urea
PubChem CID42928191
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name1-[1-(4-imidazol-1-ylphenyl)ethyl]-3-(2-thiophen-2-ylethyl)urea
SMILESCC(NC(=O)NCCc1cccs1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C18H20N4OS/c1-14(21-18(23)20-9-8-17-3-2-12-24-17)15-4-6-16(7-5-15)22-11-10-19-13-22/h2-7,10-14H,8-9H2,1H3,(H2,20,21,23)
InChIKeyLZBLPABNWIZNCT-UHFFFAOYSA-N
XLogP3.54
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-imidazol-1-ylphenyl)ethyl]-3-(2-thiophen-2-ylethyl)urea?
The IUPAC name of 1-[1-(4-imidazol-1-ylphenyl)ethyl]-3-(2-thiophen-2-ylethyl)urea (CID 42928191) is 1-[1-(4-imidazol-1-ylphenyl)ethyl]-3-(2-thiophen-2-ylethyl)urea.
What is the SMILES notation for 1-[1-(4-imidazol-1-ylphenyl)ethyl]-3-(2-thiophen-2-ylethyl)urea?
The canonical SMILES for 1-[1-(4-imidazol-1-ylphenyl)ethyl]-3-(2-thiophen-2-ylethyl)urea is CC(NC(=O)NCCc1cccs1)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of 1-[1-(4-imidazol-1-ylphenyl)ethyl]-3-(2-thiophen-2-ylethyl)urea?
The InChIKey is LZBLPABNWIZNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-14(21-18(23)20-9-8-17-3-2-12-24-17)15-4-6-16(7-5-15)22-11-10-19-13-22/h2-7,10-14H,8-9H2,1H3,(H2,20,21,23).
What are the key properties of 1-[1-(4-imidazol-1-ylphenyl)ethyl]-3-(2-thiophen-2-ylethyl)urea?
1-[1-(4-imidazol-1-ylphenyl)ethyl]-3-(2-thiophen-2-ylethyl)urea has a molecular weight of 340.45 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-imidazol-1-ylphenyl)ethyl]-3-(2-thiophen-2-ylethyl)urea is sourced from PubChem (CID 42928191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).