2-[3-(2-amino-1H-imidazol-5-yl)-3-oxopropyl]guanidine;hydrochloride

C7H13ClN6O — CID 54604744

IUPAC2-[3-(2-amino-1H-imidazol-5-yl)-3-oxopropyl]guanidine;hydrochloride
SMILESCl.NC(N)=NCCC(=O)c1cnc(N)[nH]1
InChIInChI=1S/C7H12N6O.ClH/c8-6(9)11-2-1-5(14)4-3-12-7(10)13-4;/h3H,1-2H2,(H4,8,9,11)(H3,10,12,13);1H
InChIKeyUDNIGSNBYXFRNP-UHFFFAOYSA-N
MW232.67 g/mol
LogP-0.74
Rot. Bonds4

About 2-[3-(2-amino-1H-imidazol-5-yl)-3-oxopropyl]guanidine;hydrochloride

2-[3-(2-amino-1H-imidazol-5-yl)-3-oxopropyl]guanidine;hydrochloride (PubChem CID 54604744) has the molecular formula C7H13ClN6O and a molecular weight of 232.67 g/mol. Its IUPAC name is 2-[3-(2-amino-1H-imidazol-5-yl)-3-oxopropyl]guanidine;hydrochloride.

Molecular Properties

Compound Name2-[3-(2-amino-1H-imidazol-5-yl)-3-oxopropyl]guanidine;hydrochloride
PubChem CID54604744
Molecular FormulaC7H13ClN6O
Molecular Weight232.67 g/mol
Exact Mass232.08
IUPAC Name2-[3-(2-amino-1H-imidazol-5-yl)-3-oxopropyl]guanidine;hydrochloride
SMILESCl.NC(N)=NCCC(=O)c1cnc(N)[nH]1
InChIInChI=1S/C7H12N6O.ClH/c8-6(9)11-2-1-5(14)4-3-12-7(10)13-4;/h3H,1-2H2,(H4,8,9,11)(H3,10,12,13);1H
InChIKeyUDNIGSNBYXFRNP-UHFFFAOYSA-N
XLogP-0.74
TPSA136.17 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 5-0.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(2-amino-1H-imidazol-5-yl)-6-methylheptan-1-one
CID 156580783
1-(2-amino-1H-imidazol-5-yl)-7-methyloctan-1-one
CID 156580782
carboxy 2-amino-1H-imidazole-5-carboxylate
CID 91334238
3-(diaminomethylideneamino)propanoate
CID 19020673
5-N-[4-(diaminomethylideneamino)butyl]-1H-imidazole-2,5-dicarboxamide
CID 155201792
(2-amino-1H-imidazol-5-yl)methanol;hydrochloride
CID 20550067
3-(2-amino-1H-imidazol-5-yl)propylurea;hydrochloride
CID 131859934
2,5-diamino-1H-pyrimidin-6-one;dihydrochloride
CID 133054025
2-amino-N-(2-ethyl-4-methoxyphenyl)-1H-imidazole-5-carboxamide
CID 141271018
2-[2-(5-bromo-1,3-thiazol-2-yl)ethyl]guanidine
CID 130616108
2-[2-(diaminomethylideneamino)ethyl]guanidine
CID 25831
2-amino-5-(2-amino-1H-imidazol-5-yl)pentanoic acid
CID 46237591

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-amino-1H-imidazol-5-yl)-3-oxopropyl]guanidine;hydrochloride?
The IUPAC name of 2-[3-(2-amino-1H-imidazol-5-yl)-3-oxopropyl]guanidine;hydrochloride (CID 54604744) is 2-[3-(2-amino-1H-imidazol-5-yl)-3-oxopropyl]guanidine;hydrochloride.
What is the SMILES notation for 2-[3-(2-amino-1H-imidazol-5-yl)-3-oxopropyl]guanidine;hydrochloride?
The canonical SMILES for 2-[3-(2-amino-1H-imidazol-5-yl)-3-oxopropyl]guanidine;hydrochloride is Cl.NC(N)=NCCC(=O)c1cnc(N)[nH]1.
What is the InChIKey of 2-[3-(2-amino-1H-imidazol-5-yl)-3-oxopropyl]guanidine;hydrochloride?
The InChIKey is UDNIGSNBYXFRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N6O.ClH/c8-6(9)11-2-1-5(14)4-3-12-7(10)13-4;/h3H,1-2H2,(H4,8,9,11)(H3,10,12,13);1H.
What are the key properties of 2-[3-(2-amino-1H-imidazol-5-yl)-3-oxopropyl]guanidine;hydrochloride?
2-[3-(2-amino-1H-imidazol-5-yl)-3-oxopropyl]guanidine;hydrochloride has a molecular weight of 232.67 g/mol, XLogP of -0.74, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-amino-1H-imidazol-5-yl)-3-oxopropyl]guanidine;hydrochloride is sourced from PubChem (CID 54604744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).