5-amino-1-(2-hydroxynonan-3-yl)imidazole-4-carboxamide;hydrochloride

C13H25ClN4O2 — CID 70515812

IUPAC5-amino-1-(2-hydroxynonan-3-yl)imidazole-4-carboxamide;hydrochloride
SMILESCCCCCCC(C(C)O)n1cnc(C(N)=O)c1N.Cl
InChIInChI=1S/C13H24N4O2.ClH/c1-3-4-5-6-7-10(9(2)18)17-8-16-11(12(17)14)13(15)19;/h8-10,18H,3-7,14H2,1-2H3,(H2,15,19);1H
InChIKeyVIAZOMWAIGANQM-UHFFFAOYSA-N
MW304.82 g/mol
LogP1.88
Rot. Bonds8

About 5-amino-1-(2-hydroxynonan-3-yl)imidazole-4-carboxamide;hydrochloride

5-amino-1-(2-hydroxynonan-3-yl)imidazole-4-carboxamide;hydrochloride (PubChem CID 70515812) has the molecular formula C13H25ClN4O2 and a molecular weight of 304.82 g/mol. Its IUPAC name is 5-amino-1-(2-hydroxynonan-3-yl)imidazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-amino-1-(2-hydroxynonan-3-yl)imidazole-4-carboxamide;hydrochloride
PubChem CID70515812
Molecular FormulaC13H25ClN4O2
Molecular Weight304.82 g/mol
Exact Mass304.17
IUPAC Name5-amino-1-(2-hydroxynonan-3-yl)imidazole-4-carboxamide;hydrochloride
SMILESCCCCCCC(C(C)O)n1cnc(C(N)=O)c1N.Cl
InChIInChI=1S/C13H24N4O2.ClH/c1-3-4-5-6-7-10(9(2)18)17-8-16-11(12(17)14)13(15)19;/h8-10,18H,3-7,14H2,1-2H3,(H2,15,19);1H
InChIKeyVIAZOMWAIGANQM-UHFFFAOYSA-N
XLogP1.88
TPSA107.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-acetyloxynonan-3-yl)-5-aminoimidazole-4-carboxylic acid
CID 56622360
ethyl 1-(2-acetyloxynonan-3-yl)-5-aminoimidazole-4-carboxylate
CID 70512880
(2S,3R)-3-(1,2,4-triazol-4-yl)nonan-2-ol
CID 10036067
ethyl 1-[(2S,3R)-2-hydroxynonan-3-yl]-1,2,4-triazole-3-carboxylate
CID 102328422
ethyl 1-[(2R,3R)-2-hydroxynonan-3-yl]-1,2,4-triazole-3-carboxylate
CID 102328424
1-(2-hydroxynonan-3-yl)imidazole-4-carbothioamide
CID 14888768
N-ethyl-1-(2-hydroxynonan-3-yl)imidazole-4-carboxamide
CID 14888746
(2S,3S)-3-(6-aminopurin-9-yl)hexan-2-ol
CID 67145035
4-amino-1-heptylpyrazole-3-carboxamide
CID 107345098
1-amino-5-pentylimidazole-4-carboxamide
CID 174369913
hexane-1,1-diol carbonate
CID 22286932
5-amino-4-octan-2-ylpyrazole-1-carboxamide
CID 167102492

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2-hydroxynonan-3-yl)imidazole-4-carboxamide;hydrochloride?
The IUPAC name of 5-amino-1-(2-hydroxynonan-3-yl)imidazole-4-carboxamide;hydrochloride (CID 70515812) is 5-amino-1-(2-hydroxynonan-3-yl)imidazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 5-amino-1-(2-hydroxynonan-3-yl)imidazole-4-carboxamide;hydrochloride?
The canonical SMILES for 5-amino-1-(2-hydroxynonan-3-yl)imidazole-4-carboxamide;hydrochloride is CCCCCCC(C(C)O)n1cnc(C(N)=O)c1N.Cl.
What is the InChIKey of 5-amino-1-(2-hydroxynonan-3-yl)imidazole-4-carboxamide;hydrochloride?
The InChIKey is VIAZOMWAIGANQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2.ClH/c1-3-4-5-6-7-10(9(2)18)17-8-16-11(12(17)14)13(15)19;/h8-10,18H,3-7,14H2,1-2H3,(H2,15,19);1H.
What are the key properties of 5-amino-1-(2-hydroxynonan-3-yl)imidazole-4-carboxamide;hydrochloride?
5-amino-1-(2-hydroxynonan-3-yl)imidazole-4-carboxamide;hydrochloride has a molecular weight of 304.82 g/mol, XLogP of 1.88, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2-hydroxynonan-3-yl)imidazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 70515812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).