1-(5-cyano-1-ethylimidazol-4-yl)-3-methylurea

C8H11N5O — CID 130012622

IUPAC1-(5-cyano-1-ethylimidazol-4-yl)-3-methylurea
SMILESCCn1cnc(NC(=O)NC)c1C#N
InChIInChI=1S/C8H11N5O/c1-3-13-5-11-7(6(13)4-9)12-8(14)10-2/h5H,3H2,1-2H3,(H2,10,12,14)
InChIKeyGEWSGUMLOZNRDU-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.53
Rot. Bonds2

About 1-(5-cyano-1-ethylimidazol-4-yl)-3-methylurea

1-(5-cyano-1-ethylimidazol-4-yl)-3-methylurea (PubChem CID 130012622) has the molecular formula C8H11N5O and a molecular weight of 193.21 g/mol. Its IUPAC name is 1-(5-cyano-1-ethylimidazol-4-yl)-3-methylurea.

Molecular Properties

Compound Name1-(5-cyano-1-ethylimidazol-4-yl)-3-methylurea
PubChem CID130012622
Molecular FormulaC8H11N5O
Molecular Weight193.21 g/mol
Exact Mass193.10
IUPAC Name1-(5-cyano-1-ethylimidazol-4-yl)-3-methylurea
SMILESCCn1cnc(NC(=O)NC)c1C#N
InChIInChI=1S/C8H11N5O/c1-3-13-5-11-7(6(13)4-9)12-8(14)10-2/h5H,3H2,1-2H3,(H2,10,12,14)
InChIKeyGEWSGUMLOZNRDU-UHFFFAOYSA-N
XLogP0.53
TPSA82.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(5-cyano-1-ethylimidazol-4-yl)-3-methylurea 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 1-(5-cyano-1-ethylimidazol-4-yl)-3-methylurea?
The IUPAC name of 1-(5-cyano-1-ethylimidazol-4-yl)-3-methylurea (CID 130012622) is 1-(5-cyano-1-ethylimidazol-4-yl)-3-methylurea.
What is the SMILES notation for 1-(5-cyano-1-ethylimidazol-4-yl)-3-methylurea?
The canonical SMILES for 1-(5-cyano-1-ethylimidazol-4-yl)-3-methylurea is CCn1cnc(NC(=O)NC)c1C#N.
What is the InChIKey of 1-(5-cyano-1-ethylimidazol-4-yl)-3-methylurea?
The InChIKey is GEWSGUMLOZNRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O/c1-3-13-5-11-7(6(13)4-9)12-8(14)10-2/h5H,3H2,1-2H3,(H2,10,12,14).
What are the key properties of 1-(5-cyano-1-ethylimidazol-4-yl)-3-methylurea?
1-(5-cyano-1-ethylimidazol-4-yl)-3-methylurea has a molecular weight of 193.21 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyano-1-ethylimidazol-4-yl)-3-methylurea is sourced from PubChem (CID 130012622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).