2-(1-ethylimidazol-4-yl)ethylurea

C8H14N4O — CID 86689238

IUPAC2-(1-ethylimidazol-4-yl)ethylurea
SMILESCCn1cnc(CCNC(N)=O)c1
InChIInChI=1S/C8H14N4O/c1-2-12-5-7(11-6-12)3-4-10-8(9)13/h5-6H,2-4H2,1H3,(H3,9,10,13)
InChIKeyYVCZMQNPLBKZIY-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.11
Rot. Bonds4

About 2-(1-ethylimidazol-4-yl)ethylurea

2-(1-ethylimidazol-4-yl)ethylurea (PubChem CID 86689238) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 2-(1-ethylimidazol-4-yl)ethylurea.

Molecular Properties

Compound Name2-(1-ethylimidazol-4-yl)ethylurea
PubChem CID86689238
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name2-(1-ethylimidazol-4-yl)ethylurea
SMILESCCn1cnc(CCNC(N)=O)c1
InChIInChI=1S/C8H14N4O/c1-2-12-5-7(11-6-12)3-4-10-8(9)13/h5-6H,2-4H2,1H3,(H3,9,10,13)
InChIKeyYVCZMQNPLBKZIY-UHFFFAOYSA-N
XLogP0.11
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(1-ethylimidazol-4-yl)ethylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylimidazol-4-yl)ethylurea?
The IUPAC name of 2-(1-ethylimidazol-4-yl)ethylurea (CID 86689238) is 2-(1-ethylimidazol-4-yl)ethylurea.
What is the SMILES notation for 2-(1-ethylimidazol-4-yl)ethylurea?
The canonical SMILES for 2-(1-ethylimidazol-4-yl)ethylurea is CCn1cnc(CCNC(N)=O)c1.
What is the InChIKey of 2-(1-ethylimidazol-4-yl)ethylurea?
The InChIKey is YVCZMQNPLBKZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-2-12-5-7(11-6-12)3-4-10-8(9)13/h5-6H,2-4H2,1H3,(H3,9,10,13).
What are the key properties of 2-(1-ethylimidazol-4-yl)ethylurea?
2-(1-ethylimidazol-4-yl)ethylurea has a molecular weight of 182.23 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylimidazol-4-yl)ethylurea is sourced from PubChem (CID 86689238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).