1-[2-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylethyl]-3-ethylurea

C23H28N4OS — CID 45488562

IUPAC1-[2-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylethyl]-3-ethylurea
SMILESCCCn1c(SCCNC(=O)NCC)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C23H28N4OS/c1-3-16-27-21(19-13-9-6-10-14-19)20(18-11-7-5-8-12-18)26-23(27)29-17-15-25-22(28)24-4-2/h5-14H,3-4,15-17H2,1-2H3,(H2,24,25,28)
InChIKeyFSLKJLRWYMKARO-UHFFFAOYSA-N
MW408.57 g/mol
LogP5.04
Rot. Bonds9

About 1-[2-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylethyl]-3-ethylurea

1-[2-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylethyl]-3-ethylurea (PubChem CID 45488562) has the molecular formula C23H28N4OS and a molecular weight of 408.57 g/mol. Its IUPAC name is 1-[2-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylethyl]-3-ethylurea.

Molecular Properties

Compound Name1-[2-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylethyl]-3-ethylurea
PubChem CID45488562
Molecular FormulaC23H28N4OS
Molecular Weight408.57 g/mol
Exact Mass408.20
IUPAC Name1-[2-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylethyl]-3-ethylurea
SMILESCCCn1c(SCCNC(=O)NCC)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C23H28N4OS/c1-3-16-27-21(19-13-9-6-10-14-19)20(18-11-7-5-8-12-18)26-23(27)29-17-15-25-22(28)24-4-2/h5-14H,3-4,15-17H2,1-2H3,(H2,24,25,28)
InChIKeyFSLKJLRWYMKARO-UHFFFAOYSA-N
XLogP5.04
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.57
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylethyl]-3-ethylurea?
The IUPAC name of 1-[2-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylethyl]-3-ethylurea (CID 45488562) is 1-[2-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylethyl]-3-ethylurea.
What is the SMILES notation for 1-[2-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylethyl]-3-ethylurea?
The canonical SMILES for 1-[2-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylethyl]-3-ethylurea is CCCn1c(SCCNC(=O)NCC)nc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 1-[2-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylethyl]-3-ethylurea?
The InChIKey is FSLKJLRWYMKARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4OS/c1-3-16-27-21(19-13-9-6-10-14-19)20(18-11-7-5-8-12-18)26-23(27)29-17-15-25-22(28)24-4-2/h5-14H,3-4,15-17H2,1-2H3,(H2,24,25,28).
What are the key properties of 1-[2-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylethyl]-3-ethylurea?
1-[2-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylethyl]-3-ethylurea has a molecular weight of 408.57 g/mol, XLogP of 5.04, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylethyl]-3-ethylurea is sourced from PubChem (CID 45488562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).