3-imidazol-1-ylpropylurea

C7H12N4O — CID 22179621

IUPAC3-imidazol-1-ylpropylurea
SMILESNC(=O)NCCCn1ccnc1
InChIInChI=1S/C7H12N4O/c8-7(12)10-2-1-4-11-5-3-9-6-11/h3,5-6H,1-2,4H2,(H3,8,10,12)
InChIKeyCHCFKGBCVKAIEJ-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.06
Rot. Bonds4

About 3-imidazol-1-ylpropylurea

3-imidazol-1-ylpropylurea (PubChem CID 22179621) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 3-imidazol-1-ylpropylurea.

Molecular Properties

Compound Name3-imidazol-1-ylpropylurea
PubChem CID22179621
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name3-imidazol-1-ylpropylurea
SMILESNC(=O)NCCCn1ccnc1
InChIInChI=1S/C7H12N4O/c8-7(12)10-2-1-4-11-5-3-9-6-11/h3,5-6H,1-2,4H2,(H3,8,10,12)
InChIKeyCHCFKGBCVKAIEJ-UHFFFAOYSA-N
XLogP-0.06
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-imidazol-1-ylethylurea
CID 61061185
1-carbamoyl-1,3-bis(3-imidazol-1-ylpropyl)urea
CID 164606173
N-butyl-N'-(3-imidazol-1-ylpropyl)oxamide
CID 565508
4-(3-imidazol-1-ylpropylcarbamoylamino)butanoic acid
CID 61184653
3-amino-N-(3-imidazol-1-ylpropyl)-3-methylbutanamide
CID 64686152
7-amino-N-(3-imidazol-1-ylpropyl)heptanamide
CID 28994147
1-(4-imidazol-1-ylbutyl)-3-methylurea
CID 115589253
2-chloro-N-(4-imidazol-1-ylbutyl)acetamide;hydrochloride
CID 146083026
4-(3-imidazol-1-ylpropylamino)-4-oxobutanoate
CID 7009162
3-amino-3-hydroxyimino-N-(3-imidazol-1-ylpropyl)-2,2-dimethylpropanamide
CID 76920009
potassium N-(3-imidazol-1-ylpropyl)carbamodithioate
CID 57326228
4-imidazol-1-ylbutylhydrazine
CID 86114724

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-ylpropylurea?
The IUPAC name of 3-imidazol-1-ylpropylurea (CID 22179621) is 3-imidazol-1-ylpropylurea.
What is the SMILES notation for 3-imidazol-1-ylpropylurea?
The canonical SMILES for 3-imidazol-1-ylpropylurea is NC(=O)NCCCn1ccnc1.
What is the InChIKey of 3-imidazol-1-ylpropylurea?
The InChIKey is CHCFKGBCVKAIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c8-7(12)10-2-1-4-11-5-3-9-6-11/h3,5-6H,1-2,4H2,(H3,8,10,12).
What are the key properties of 3-imidazol-1-ylpropylurea?
3-imidazol-1-ylpropylurea has a molecular weight of 168.20 g/mol, XLogP of -0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-ylpropylurea is sourced from PubChem (CID 22179621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).