2-imidazol-1-ylethylurea

C6H10N4O — CID 61061185

IUPAC2-imidazol-1-ylethylurea
SMILESNC(=O)NCCn1ccnc1
InChIInChI=1S/C6H10N4O/c7-6(11)9-2-4-10-3-1-8-5-10/h1,3,5H,2,4H2,(H3,7,9,11)
InChIKeyDBFQSJGAQOASFP-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.45
Rot. Bonds3

About 2-imidazol-1-ylethylurea

2-imidazol-1-ylethylurea (PubChem CID 61061185) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is 2-imidazol-1-ylethylurea.

Molecular Properties

Compound Name2-imidazol-1-ylethylurea
PubChem CID61061185
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC Name2-imidazol-1-ylethylurea
SMILESNC(=O)NCCn1ccnc1
InChIInChI=1S/C6H10N4O/c7-6(11)9-2-4-10-3-1-8-5-10/h1,3,5H,2,4H2,(H3,7,9,11)
InChIKeyDBFQSJGAQOASFP-UHFFFAOYSA-N
XLogP-0.45
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-imidazol-1-ylpropylurea
CID 22179621
3-amino-N-(2-imidazol-1-ylethyl)-3-sulfanylidenepropanamide
CID 61460885
1-(2-imidazol-1-ylethyl)-3-methylurea
CID 58988197
2-amino-N-(2-imidazol-1-ylethyl)-2-methylpropanamide
CID 61325537
2-bromo-N-(2-imidazol-1-ylethyl)propanamide
CID 82108600
2-hydroxy-N-(2-imidazol-1-ylethyl)-2-methylpropanamide
CID 103429654
1-carbamothioyl-N-(2-imidazol-1-ylethyl)cyclopropane-1-carboxamide
CID 80589712
N-(2-imidazol-1-ylethyl)-2-methoxyacetamide
CID 60724975
1-(aminomethyl)-N-(2-imidazol-1-ylethyl)cyclopropane-1-carboxamide
CID 80588119
1-carbamothioyl-N-(2-imidazol-1-ylethyl)cyclobutane-1-carboxamide
CID 80589798
(2S)-2-amino-N-(2-imidazol-1-ylethyl)-3-methylpentanamide
CID 61326563
2-bromo-N-(2-imidazol-1-ylethyl)-3-methylbutanamide
CID 61325327

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-ylethylurea?
The IUPAC name of 2-imidazol-1-ylethylurea (CID 61061185) is 2-imidazol-1-ylethylurea.
What is the SMILES notation for 2-imidazol-1-ylethylurea?
The canonical SMILES for 2-imidazol-1-ylethylurea is NC(=O)NCCn1ccnc1.
What is the InChIKey of 2-imidazol-1-ylethylurea?
The InChIKey is DBFQSJGAQOASFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O/c7-6(11)9-2-4-10-3-1-8-5-10/h1,3,5H,2,4H2,(H3,7,9,11).
What are the key properties of 2-imidazol-1-ylethylurea?
2-imidazol-1-ylethylurea has a molecular weight of 154.17 g/mol, XLogP of -0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-ylethylurea is sourced from PubChem (CID 61061185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).