3-(2-amino-1H-imidazol-5-yl)propylurea;hydrochloride

C7H14ClN5O — CID 131859934

IUPAC3-(2-amino-1H-imidazol-5-yl)propylurea;hydrochloride
SMILESCl.NC(=O)NCCCc1cnc(N)[nH]1
InChIInChI=1S/C7H13N5O.ClH/c8-6-11-4-5(12-6)2-1-3-10-7(9)13;/h4H,1-3H2,(H3,8,11,12)(H3,9,10,13);1H
InChIKeyWUNOQGNYLFBOSD-UHFFFAOYSA-N
MW219.68 g/mol
LogP0.01
Rot. Bonds4

About 3-(2-amino-1H-imidazol-5-yl)propylurea;hydrochloride

3-(2-amino-1H-imidazol-5-yl)propylurea;hydrochloride (PubChem CID 131859934) has the molecular formula C7H14ClN5O and a molecular weight of 219.68 g/mol. Its IUPAC name is 3-(2-amino-1H-imidazol-5-yl)propylurea;hydrochloride.

Molecular Properties

Compound Name3-(2-amino-1H-imidazol-5-yl)propylurea;hydrochloride
PubChem CID131859934
Molecular FormulaC7H14ClN5O
Molecular Weight219.68 g/mol
Exact Mass219.09
IUPAC Name3-(2-amino-1H-imidazol-5-yl)propylurea;hydrochloride
SMILESCl.NC(=O)NCCCc1cnc(N)[nH]1
InChIInChI=1S/C7H13N5O.ClH/c8-6-11-4-5(12-6)2-1-3-10-7(9)13;/h4H,1-3H2,(H3,8,11,12)(H3,9,10,13);1H
InChIKeyWUNOQGNYLFBOSD-UHFFFAOYSA-N
XLogP0.01
TPSA109.82 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.68
LogP ≤ 50.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1H-imidazol-5-yl)propylurea;hydrochloride?
The IUPAC name of 3-(2-amino-1H-imidazol-5-yl)propylurea;hydrochloride (CID 131859934) is 3-(2-amino-1H-imidazol-5-yl)propylurea;hydrochloride.
What is the SMILES notation for 3-(2-amino-1H-imidazol-5-yl)propylurea;hydrochloride?
The canonical SMILES for 3-(2-amino-1H-imidazol-5-yl)propylurea;hydrochloride is Cl.NC(=O)NCCCc1cnc(N)[nH]1.
What is the InChIKey of 3-(2-amino-1H-imidazol-5-yl)propylurea;hydrochloride?
The InChIKey is WUNOQGNYLFBOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O.ClH/c8-6-11-4-5(12-6)2-1-3-10-7(9)13;/h4H,1-3H2,(H3,8,11,12)(H3,9,10,13);1H.
What are the key properties of 3-(2-amino-1H-imidazol-5-yl)propylurea;hydrochloride?
3-(2-amino-1H-imidazol-5-yl)propylurea;hydrochloride has a molecular weight of 219.68 g/mol, XLogP of 0.01, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1H-imidazol-5-yl)propylurea;hydrochloride is sourced from PubChem (CID 131859934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).