1-(2-imidazol-1-ylethyl)-3-methylurea

C7H12N4O — CID 58988197

IUPAC1-(2-imidazol-1-ylethyl)-3-methylurea
SMILESCNC(=O)NCCn1ccnc1
InChIInChI=1S/C7H12N4O/c1-8-7(12)10-3-5-11-4-2-9-6-11/h2,4,6H,3,5H2,1H3,(H2,8,10,12)
InChIKeyAVUAONNPGGWTHE-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.19
Rot. Bonds3

About 1-(2-imidazol-1-ylethyl)-3-methylurea

1-(2-imidazol-1-ylethyl)-3-methylurea (PubChem CID 58988197) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 1-(2-imidazol-1-ylethyl)-3-methylurea.

Molecular Properties

Compound Name1-(2-imidazol-1-ylethyl)-3-methylurea
PubChem CID58988197
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name1-(2-imidazol-1-ylethyl)-3-methylurea
SMILESCNC(=O)NCCn1ccnc1
InChIInChI=1S/C7H12N4O/c1-8-7(12)10-3-5-11-4-2-9-6-11/h2,4,6H,3,5H2,1H3,(H2,8,10,12)
InChIKeyAVUAONNPGGWTHE-UHFFFAOYSA-N
XLogP-0.19
TPSA58.95 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 ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-imidazol-1-ylbutyl)-3-methylurea
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2-imidazol-1-ylethylurea
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2-amino-N-(2-imidazol-1-ylethyl)-2-methylpropanamide
CID 61325537
N-(2-imidazol-1-ylethyl)-2-methoxyacetamide
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6-(2-imidazol-1-ylethylcarbamoylamino)hexanoic acid
CID 61461843
2-bromo-N-(2-imidazol-1-ylethyl)-3-methylbutanamide
CID 61325327
propan-2-yl N-(2-imidazol-1-ylethyl)carbamate
CID 116654702
1-[4-(1-hydroxyethyl)phenyl]-3-(2-imidazol-1-ylethyl)urea
CID 61461408
1-(2-imidazol-1-ylethyl)-3-[(2S)-2-pyrrolidin-1-ylpropyl]urea
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CID 61460885

Frequently Asked Questions

What is the IUPAC name of 1-(2-imidazol-1-ylethyl)-3-methylurea?
The IUPAC name of 1-(2-imidazol-1-ylethyl)-3-methylurea (CID 58988197) is 1-(2-imidazol-1-ylethyl)-3-methylurea.
What is the SMILES notation for 1-(2-imidazol-1-ylethyl)-3-methylurea?
The canonical SMILES for 1-(2-imidazol-1-ylethyl)-3-methylurea is CNC(=O)NCCn1ccnc1.
What is the InChIKey of 1-(2-imidazol-1-ylethyl)-3-methylurea?
The InChIKey is AVUAONNPGGWTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-8-7(12)10-3-5-11-4-2-9-6-11/h2,4,6H,3,5H2,1H3,(H2,8,10,12).
What are the key properties of 1-(2-imidazol-1-ylethyl)-3-methylurea?
1-(2-imidazol-1-ylethyl)-3-methylurea has a molecular weight of 168.20 g/mol, XLogP of -0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-imidazol-1-ylethyl)-3-methylurea is sourced from PubChem (CID 58988197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).