1-[3-(2-phenylimidazol-1-yl)propyl]-3-(thiophen-2-ylmethyl)urea

C18H20N4OS — CID 71789057

IUPAC1-[3-(2-phenylimidazol-1-yl)propyl]-3-(thiophen-2-ylmethyl)urea
SMILESO=C(NCCCn1ccnc1-c1ccccc1)NCc1cccs1
InChIInChI=1S/C18H20N4OS/c23-18(21-14-16-8-4-13-24-16)20-9-5-11-22-12-10-19-17(22)15-6-2-1-3-7-15/h1-4,6-8,10,12-13H,5,9,11,14H2,(H2,20,21,23)
InChIKeyUNFHJDGDBIYEFE-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.50
Rot. Bonds7

About 1-[3-(2-phenylimidazol-1-yl)propyl]-3-(thiophen-2-ylmethyl)urea

1-[3-(2-phenylimidazol-1-yl)propyl]-3-(thiophen-2-ylmethyl)urea (PubChem CID 71789057) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is 1-[3-(2-phenylimidazol-1-yl)propyl]-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[3-(2-phenylimidazol-1-yl)propyl]-3-(thiophen-2-ylmethyl)urea
PubChem CID71789057
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name1-[3-(2-phenylimidazol-1-yl)propyl]-3-(thiophen-2-ylmethyl)urea
SMILESO=C(NCCCn1ccnc1-c1ccccc1)NCc1cccs1
InChIInChI=1S/C18H20N4OS/c23-18(21-14-16-8-4-13-24-16)20-9-5-11-22-12-10-19-17(22)15-6-2-1-3-7-15/h1-4,6-8,10,12-13H,5,9,11,14H2,(H2,20,21,23)
InChIKeyUNFHJDGDBIYEFE-UHFFFAOYSA-N
XLogP3.50
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.50
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-[3-(2-phenylimidazol-1-yl)propyl]-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-[3-(2-phenylimidazol-1-yl)propyl]-3-(thiophen-2-ylmethyl)urea (CID 71789057) is 1-[3-(2-phenylimidazol-1-yl)propyl]-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-[3-(2-phenylimidazol-1-yl)propyl]-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-[3-(2-phenylimidazol-1-yl)propyl]-3-(thiophen-2-ylmethyl)urea is O=C(NCCCn1ccnc1-c1ccccc1)NCc1cccs1.
What is the InChIKey of 1-[3-(2-phenylimidazol-1-yl)propyl]-3-(thiophen-2-ylmethyl)urea?
The InChIKey is UNFHJDGDBIYEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c23-18(21-14-16-8-4-13-24-16)20-9-5-11-22-12-10-19-17(22)15-6-2-1-3-7-15/h1-4,6-8,10,12-13H,5,9,11,14H2,(H2,20,21,23).
What are the key properties of 1-[3-(2-phenylimidazol-1-yl)propyl]-3-(thiophen-2-ylmethyl)urea?
1-[3-(2-phenylimidazol-1-yl)propyl]-3-(thiophen-2-ylmethyl)urea has a molecular weight of 340.45 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-phenylimidazol-1-yl)propyl]-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 71789057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).