1-dodecyl-5-phenylimidazol-2-amine

C21H33N3 — CID 50941021

IUPAC1-dodecyl-5-phenylimidazol-2-amine
SMILESCCCCCCCCCCCCn1c(-c2ccccc2)cnc1N
InChIInChI=1S/C21H33N3/c1-2-3-4-5-6-7-8-9-10-14-17-24-20(18-23-21(24)22)19-15-12-11-13-16-19/h11-13,15-16,18H,2-10,14,17H2,1H3,(H2,22,23)
InChIKeyNHFWTSAGFOGHED-UHFFFAOYSA-N
MW327.52 g/mol
LogP6.05
Rot. Bonds12

About 1-dodecyl-5-phenylimidazol-2-amine

1-dodecyl-5-phenylimidazol-2-amine (PubChem CID 50941021) has the molecular formula C21H33N3 and a molecular weight of 327.52 g/mol. Its IUPAC name is 1-dodecyl-5-phenylimidazol-2-amine.

Molecular Properties

Compound Name1-dodecyl-5-phenylimidazol-2-amine
PubChem CID50941021
Molecular FormulaC21H33N3
Molecular Weight327.52 g/mol
Exact Mass327.27
IUPAC Name1-dodecyl-5-phenylimidazol-2-amine
SMILESCCCCCCCCCCCCn1c(-c2ccccc2)cnc1N
InChIInChI=1S/C21H33N3/c1-2-3-4-5-6-7-8-9-10-14-17-24-20(18-23-21(24)22)19-15-12-11-13-16-19/h11-13,15-16,18H,2-10,14,17H2,1H3,(H2,22,23)
InChIKeyNHFWTSAGFOGHED-UHFFFAOYSA-N
XLogP6.05
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.52
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-dodecyl-5-phenylimidazol-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 1-dodecyl-5-phenylimidazol-2-amine?
The IUPAC name of 1-dodecyl-5-phenylimidazol-2-amine (CID 50941021) is 1-dodecyl-5-phenylimidazol-2-amine.
What is the SMILES notation for 1-dodecyl-5-phenylimidazol-2-amine?
The canonical SMILES for 1-dodecyl-5-phenylimidazol-2-amine is CCCCCCCCCCCCn1c(-c2ccccc2)cnc1N.
What is the InChIKey of 1-dodecyl-5-phenylimidazol-2-amine?
The InChIKey is NHFWTSAGFOGHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3/c1-2-3-4-5-6-7-8-9-10-14-17-24-20(18-23-21(24)22)19-15-12-11-13-16-19/h11-13,15-16,18H,2-10,14,17H2,1H3,(H2,22,23).
What are the key properties of 1-dodecyl-5-phenylimidazol-2-amine?
1-dodecyl-5-phenylimidazol-2-amine has a molecular weight of 327.52 g/mol, XLogP of 6.05, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecyl-5-phenylimidazol-2-amine is sourced from PubChem (CID 50941021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).