2-(3-methylimidazol-4-yl)ethylurea

C7H12N4O — CID 141391466

IUPAC2-(3-methylimidazol-4-yl)ethylurea
SMILESCn1cncc1CCNC(N)=O
InChIInChI=1S/C7H12N4O/c1-11-5-9-4-6(11)2-3-10-7(8)12/h4-5H,2-3H2,1H3,(H3,8,10,12)
InChIKeyQAROFEFJLHDUBS-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.37
Rot. Bonds3

About 2-(3-methylimidazol-4-yl)ethylurea

2-(3-methylimidazol-4-yl)ethylurea (PubChem CID 141391466) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-(3-methylimidazol-4-yl)ethylurea.

Molecular Properties

Compound Name2-(3-methylimidazol-4-yl)ethylurea
PubChem CID141391466
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name2-(3-methylimidazol-4-yl)ethylurea
SMILESCn1cncc1CCNC(N)=O
InChIInChI=1S/C7H12N4O/c1-11-5-9-4-6(11)2-3-10-7(8)12/h4-5H,2-3H2,1H3,(H3,8,10,12)
InChIKeyQAROFEFJLHDUBS-UHFFFAOYSA-N
XLogP-0.37
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylimidazol-4-yl)ethylurea?
The IUPAC name of 2-(3-methylimidazol-4-yl)ethylurea (CID 141391466) is 2-(3-methylimidazol-4-yl)ethylurea.
What is the SMILES notation for 2-(3-methylimidazol-4-yl)ethylurea?
The canonical SMILES for 2-(3-methylimidazol-4-yl)ethylurea is Cn1cncc1CCNC(N)=O.
What is the InChIKey of 2-(3-methylimidazol-4-yl)ethylurea?
The InChIKey is QAROFEFJLHDUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-11-5-9-4-6(11)2-3-10-7(8)12/h4-5H,2-3H2,1H3,(H3,8,10,12).
What are the key properties of 2-(3-methylimidazol-4-yl)ethylurea?
2-(3-methylimidazol-4-yl)ethylurea has a molecular weight of 168.20 g/mol, XLogP of -0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylimidazol-4-yl)ethylurea is sourced from PubChem (CID 141391466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).