1-(2-hydroxynonan-3-yl)imidazole-4-carboximidamide

C13H24N4O — CID 14888766

IUPAC1-(2-hydroxynonan-3-yl)imidazole-4-carboximidamide
SMILES[H]/N=C(\N)c1cn(C(CCCCCC)C(C)O)cn1
InChIInChI=1S/C13H24N4O/c1-3-4-5-6-7-12(10(2)18)17-8-11(13(14)15)16-9-17/h8-10,12,18H,3-7H2,1-2H3,(H3,14,15)
InChIKeyVLXLFVOVFKTXCS-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.06
Rot. Bonds8

About 1-(2-hydroxynonan-3-yl)imidazole-4-carboximidamide

1-(2-hydroxynonan-3-yl)imidazole-4-carboximidamide (PubChem CID 14888766) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-(2-hydroxynonan-3-yl)imidazole-4-carboximidamide.

Molecular Properties

Compound Name1-(2-hydroxynonan-3-yl)imidazole-4-carboximidamide
PubChem CID14888766
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name1-(2-hydroxynonan-3-yl)imidazole-4-carboximidamide
SMILES[H]/N=C(\N)c1cn(C(CCCCCC)C(C)O)cn1
InChIInChI=1S/C13H24N4O/c1-3-4-5-6-7-12(10(2)18)17-8-11(13(14)15)16-9-17/h8-10,12,18H,3-7H2,1-2H3,(H3,14,15)
InChIKeyVLXLFVOVFKTXCS-UHFFFAOYSA-N
XLogP2.06
TPSA87.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2-hydroxynonan-3-yl)imidazole-4-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxynonan-3-yl)imidazole-4-carboximidamide?
The IUPAC name of 1-(2-hydroxynonan-3-yl)imidazole-4-carboximidamide (CID 14888766) is 1-(2-hydroxynonan-3-yl)imidazole-4-carboximidamide.
What is the SMILES notation for 1-(2-hydroxynonan-3-yl)imidazole-4-carboximidamide?
The canonical SMILES for 1-(2-hydroxynonan-3-yl)imidazole-4-carboximidamide is [H]/N=C(\N)c1cn(C(CCCCCC)C(C)O)cn1.
What is the InChIKey of 1-(2-hydroxynonan-3-yl)imidazole-4-carboximidamide?
The InChIKey is VLXLFVOVFKTXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-3-4-5-6-7-12(10(2)18)17-8-11(13(14)15)16-9-17/h8-10,12,18H,3-7H2,1-2H3,(H3,14,15).
What are the key properties of 1-(2-hydroxynonan-3-yl)imidazole-4-carboximidamide?
1-(2-hydroxynonan-3-yl)imidazole-4-carboximidamide has a molecular weight of 252.36 g/mol, XLogP of 2.06, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxynonan-3-yl)imidazole-4-carboximidamide is sourced from PubChem (CID 14888766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).