1-(3-imidazol-1-ylpropyl)-3-(2-phenylethyl)urea

C15H20N4O — CID 38155272

IUPAC1-(3-imidazol-1-ylpropyl)-3-(2-phenylethyl)urea
SMILESO=C(NCCCn1ccnc1)NCCc1ccccc1
InChIInChI=1S/C15H20N4O/c20-15(17-8-4-11-19-12-10-16-13-19)18-9-7-14-5-2-1-3-6-14/h1-3,5-6,10,12-13H,4,7-9,11H2,(H2,17,18,20)
InChIKeyDXXVMFGJFQSXRS-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.82
Rot. Bonds7

About 1-(3-imidazol-1-ylpropyl)-3-(2-phenylethyl)urea

1-(3-imidazol-1-ylpropyl)-3-(2-phenylethyl)urea (PubChem CID 38155272) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-(3-imidazol-1-ylpropyl)-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-(3-imidazol-1-ylpropyl)-3-(2-phenylethyl)urea
PubChem CID38155272
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name1-(3-imidazol-1-ylpropyl)-3-(2-phenylethyl)urea
SMILESO=C(NCCCn1ccnc1)NCCc1ccccc1
InChIInChI=1S/C15H20N4O/c20-15(17-8-4-11-19-12-10-16-13-19)18-9-7-14-5-2-1-3-6-14/h1-3,5-6,10,12-13H,4,7-9,11H2,(H2,17,18,20)
InChIKeyDXXVMFGJFQSXRS-UHFFFAOYSA-N
XLogP1.82
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-imidazol-1-ylpropyl)-3-(2-phenylethyl)urea?
The IUPAC name of 1-(3-imidazol-1-ylpropyl)-3-(2-phenylethyl)urea (CID 38155272) is 1-(3-imidazol-1-ylpropyl)-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-(3-imidazol-1-ylpropyl)-3-(2-phenylethyl)urea?
The canonical SMILES for 1-(3-imidazol-1-ylpropyl)-3-(2-phenylethyl)urea is O=C(NCCCn1ccnc1)NCCc1ccccc1.
What is the InChIKey of 1-(3-imidazol-1-ylpropyl)-3-(2-phenylethyl)urea?
The InChIKey is DXXVMFGJFQSXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c20-15(17-8-4-11-19-12-10-16-13-19)18-9-7-14-5-2-1-3-6-14/h1-3,5-6,10,12-13H,4,7-9,11H2,(H2,17,18,20).
What are the key properties of 1-(3-imidazol-1-ylpropyl)-3-(2-phenylethyl)urea?
1-(3-imidazol-1-ylpropyl)-3-(2-phenylethyl)urea has a molecular weight of 272.35 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-imidazol-1-ylpropyl)-3-(2-phenylethyl)urea is sourced from PubChem (CID 38155272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).