5-phenyl-1-undecylimidazol-2-amine

C20H31N3 — CID 50941020

IUPAC5-phenyl-1-undecylimidazol-2-amine
SMILESCCCCCCCCCCCn1c(-c2ccccc2)cnc1N
InChIInChI=1S/C20H31N3/c1-2-3-4-5-6-7-8-9-13-16-23-19(17-22-20(23)21)18-14-11-10-12-15-18/h10-12,14-15,17H,2-9,13,16H2,1H3,(H2,21,22)
InChIKeyOESLQCKUBABDLS-UHFFFAOYSA-N
MW313.49 g/mol
LogP5.66
Rot. Bonds11

About 5-phenyl-1-undecylimidazol-2-amine

5-phenyl-1-undecylimidazol-2-amine (PubChem CID 50941020) has the molecular formula C20H31N3 and a molecular weight of 313.49 g/mol. Its IUPAC name is 5-phenyl-1-undecylimidazol-2-amine.

Molecular Properties

Compound Name5-phenyl-1-undecylimidazol-2-amine
PubChem CID50941020
Molecular FormulaC20H31N3
Molecular Weight313.49 g/mol
Exact Mass313.25
IUPAC Name5-phenyl-1-undecylimidazol-2-amine
SMILESCCCCCCCCCCCn1c(-c2ccccc2)cnc1N
InChIInChI=1S/C20H31N3/c1-2-3-4-5-6-7-8-9-13-16-23-19(17-22-20(23)21)18-14-11-10-12-15-18/h10-12,14-15,17H,2-9,13,16H2,1H3,(H2,21,22)
InChIKeyOESLQCKUBABDLS-UHFFFAOYSA-N
XLogP5.66
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.49
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-phenyl-1-undecylimidazol-2-amine 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-phenyl-1-undecylimidazol-2-amine?
The IUPAC name of 5-phenyl-1-undecylimidazol-2-amine (CID 50941020) is 5-phenyl-1-undecylimidazol-2-amine.
What is the SMILES notation for 5-phenyl-1-undecylimidazol-2-amine?
The canonical SMILES for 5-phenyl-1-undecylimidazol-2-amine is CCCCCCCCCCCn1c(-c2ccccc2)cnc1N.
What is the InChIKey of 5-phenyl-1-undecylimidazol-2-amine?
The InChIKey is OESLQCKUBABDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3/c1-2-3-4-5-6-7-8-9-13-16-23-19(17-22-20(23)21)18-14-11-10-12-15-18/h10-12,14-15,17H,2-9,13,16H2,1H3,(H2,21,22).
What are the key properties of 5-phenyl-1-undecylimidazol-2-amine?
5-phenyl-1-undecylimidazol-2-amine has a molecular weight of 313.49 g/mol, XLogP of 5.66, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1-undecylimidazol-2-amine is sourced from PubChem (CID 50941020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).