5-pentadecyl-1H-imidazol-2-amine;hydrochloride

C18H36ClN3 — CID 25180810

IUPAC5-pentadecyl-1H-imidazol-2-amine;hydrochloride
SMILESCCCCCCCCCCCCCCCc1cnc(N)[nH]1.Cl
InChIInChI=1S/C18H35N3.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-16-20-18(19)21-17;/h16H,2-15H2,1H3,(H3,19,20,21);1H
InChIKeySHDKBWZTUMGSQI-UHFFFAOYSA-N
MW329.96 g/mol
LogP6.05
Rot. Bonds14

About 5-pentadecyl-1H-imidazol-2-amine;hydrochloride

5-pentadecyl-1H-imidazol-2-amine;hydrochloride (PubChem CID 25180810) has the molecular formula C18H36ClN3 and a molecular weight of 329.96 g/mol. Its IUPAC name is 5-pentadecyl-1H-imidazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-pentadecyl-1H-imidazol-2-amine;hydrochloride
PubChem CID25180810
Molecular FormulaC18H36ClN3
Molecular Weight329.96 g/mol
Exact Mass329.26
IUPAC Name5-pentadecyl-1H-imidazol-2-amine;hydrochloride
SMILESCCCCCCCCCCCCCCCc1cnc(N)[nH]1.Cl
InChIInChI=1S/C18H35N3.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-16-20-18(19)21-17;/h16H,2-15H2,1H3,(H3,19,20,21);1H
InChIKeySHDKBWZTUMGSQI-UHFFFAOYSA-N
XLogP6.05
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.96
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-pentadecyl-1H-imidazol-2-amine;hydrochloride 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 5-pentadecyl-1H-imidazol-2-amine;hydrochloride?
The IUPAC name of 5-pentadecyl-1H-imidazol-2-amine;hydrochloride (CID 25180810) is 5-pentadecyl-1H-imidazol-2-amine;hydrochloride.
What is the SMILES notation for 5-pentadecyl-1H-imidazol-2-amine;hydrochloride?
The canonical SMILES for 5-pentadecyl-1H-imidazol-2-amine;hydrochloride is CCCCCCCCCCCCCCCc1cnc(N)[nH]1.Cl.
What is the InChIKey of 5-pentadecyl-1H-imidazol-2-amine;hydrochloride?
The InChIKey is SHDKBWZTUMGSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-16-20-18(19)21-17;/h16H,2-15H2,1H3,(H3,19,20,21);1H.
What are the key properties of 5-pentadecyl-1H-imidazol-2-amine;hydrochloride?
5-pentadecyl-1H-imidazol-2-amine;hydrochloride has a molecular weight of 329.96 g/mol, XLogP of 6.05, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentadecyl-1H-imidazol-2-amine;hydrochloride is sourced from PubChem (CID 25180810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).