1-(2-imidazol-1-ylethyl)-3-(oxolan-2-ylmethyl)urea

C11H18N4O2 — CID 71894180

IUPAC1-(2-imidazol-1-ylethyl)-3-(oxolan-2-ylmethyl)urea
SMILESO=C(NCCn1ccnc1)NCC1CCCO1
InChIInChI=1S/C11H18N4O2/c16-11(14-8-10-2-1-7-17-10)13-4-6-15-5-3-12-9-15/h3,5,9-10H,1-2,4,6-8H2,(H2,13,14,16)
InChIKeyLKZHPQYJLOPEFL-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.36
Rot. Bonds5

About 1-(2-imidazol-1-ylethyl)-3-(oxolan-2-ylmethyl)urea

1-(2-imidazol-1-ylethyl)-3-(oxolan-2-ylmethyl)urea (PubChem CID 71894180) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-(2-imidazol-1-ylethyl)-3-(oxolan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(2-imidazol-1-ylethyl)-3-(oxolan-2-ylmethyl)urea
PubChem CID71894180
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name1-(2-imidazol-1-ylethyl)-3-(oxolan-2-ylmethyl)urea
SMILESO=C(NCCn1ccnc1)NCC1CCCO1
InChIInChI=1S/C11H18N4O2/c16-11(14-8-10-2-1-7-17-10)13-4-6-15-5-3-12-9-15/h3,5,9-10H,1-2,4,6-8H2,(H2,13,14,16)
InChIKeyLKZHPQYJLOPEFL-UHFFFAOYSA-N
XLogP0.36
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-imidazol-1-ylethyl)-3-(oxolan-2-ylmethyl)urea?
The IUPAC name of 1-(2-imidazol-1-ylethyl)-3-(oxolan-2-ylmethyl)urea (CID 71894180) is 1-(2-imidazol-1-ylethyl)-3-(oxolan-2-ylmethyl)urea.
What is the SMILES notation for 1-(2-imidazol-1-ylethyl)-3-(oxolan-2-ylmethyl)urea?
The canonical SMILES for 1-(2-imidazol-1-ylethyl)-3-(oxolan-2-ylmethyl)urea is O=C(NCCn1ccnc1)NCC1CCCO1.
What is the InChIKey of 1-(2-imidazol-1-ylethyl)-3-(oxolan-2-ylmethyl)urea?
The InChIKey is LKZHPQYJLOPEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c16-11(14-8-10-2-1-7-17-10)13-4-6-15-5-3-12-9-15/h3,5,9-10H,1-2,4,6-8H2,(H2,13,14,16).
What are the key properties of 1-(2-imidazol-1-ylethyl)-3-(oxolan-2-ylmethyl)urea?
1-(2-imidazol-1-ylethyl)-3-(oxolan-2-ylmethyl)urea has a molecular weight of 238.29 g/mol, XLogP of 0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-imidazol-1-ylethyl)-3-(oxolan-2-ylmethyl)urea is sourced from PubChem (CID 71894180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).