1,5,5-trimethyl-N-[(4-propan-2-ylphenyl)methyl]-4H-imidazol-2-amine;hydroiodide

C16H26IN3 — CID 166326327

IUPAC1,5,5-trimethyl-N-[(4-propan-2-ylphenyl)methyl]-4H-imidazol-2-amine;hydroiodide
SMILESCC(C)c1ccc(CNC2=NCC(C)(C)N2C)cc1.I
InChIInChI=1S/C16H25N3.HI/c1-12(2)14-8-6-13(7-9-14)10-17-15-18-11-16(3,4)19(15)5;/h6-9,12H,10-11H2,1-5H3,(H,17,18);1H
InChIKeyRMBKNEWSLGKJML-UHFFFAOYSA-N
MW387.31 g/mol
LogP3.60
Rot. Bonds3

About 1,5,5-trimethyl-N-[(4-propan-2-ylphenyl)methyl]-4H-imidazol-2-amine;hydroiodide

1,5,5-trimethyl-N-[(4-propan-2-ylphenyl)methyl]-4H-imidazol-2-amine;hydroiodide (PubChem CID 166326327) has the molecular formula C16H26IN3 and a molecular weight of 387.31 g/mol. Its IUPAC name is 1,5,5-trimethyl-N-[(4-propan-2-ylphenyl)methyl]-4H-imidazol-2-amine;hydroiodide.

Molecular Properties

Compound Name1,5,5-trimethyl-N-[(4-propan-2-ylphenyl)methyl]-4H-imidazol-2-amine;hydroiodide
PubChem CID166326327
Molecular FormulaC16H26IN3
Molecular Weight387.31 g/mol
Exact Mass387.12
IUPAC Name1,5,5-trimethyl-N-[(4-propan-2-ylphenyl)methyl]-4H-imidazol-2-amine;hydroiodide
SMILESCC(C)c1ccc(CNC2=NCC(C)(C)N2C)cc1.I
InChIInChI=1S/C16H25N3.HI/c1-12(2)14-8-6-13(7-9-14)10-17-15-18-11-16(3,4)19(15)5;/h6-9,12H,10-11H2,1-5H3,(H,17,18);1H
InChIKeyRMBKNEWSLGKJML-UHFFFAOYSA-N
XLogP3.60
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.31
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,5,5-trimethyl-N-[(4-propan-2-ylphenyl)methyl]-4H-imidazol-2-amine;hydroiodide 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 1,5,5-trimethyl-N-[(4-propan-2-ylphenyl)methyl]-4H-imidazol-2-amine;hydroiodide?
The IUPAC name of 1,5,5-trimethyl-N-[(4-propan-2-ylphenyl)methyl]-4H-imidazol-2-amine;hydroiodide (CID 166326327) is 1,5,5-trimethyl-N-[(4-propan-2-ylphenyl)methyl]-4H-imidazol-2-amine;hydroiodide.
What is the SMILES notation for 1,5,5-trimethyl-N-[(4-propan-2-ylphenyl)methyl]-4H-imidazol-2-amine;hydroiodide?
The canonical SMILES for 1,5,5-trimethyl-N-[(4-propan-2-ylphenyl)methyl]-4H-imidazol-2-amine;hydroiodide is CC(C)c1ccc(CNC2=NCC(C)(C)N2C)cc1.I.
What is the InChIKey of 1,5,5-trimethyl-N-[(4-propan-2-ylphenyl)methyl]-4H-imidazol-2-amine;hydroiodide?
The InChIKey is RMBKNEWSLGKJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3.HI/c1-12(2)14-8-6-13(7-9-14)10-17-15-18-11-16(3,4)19(15)5;/h6-9,12H,10-11H2,1-5H3,(H,17,18);1H.
What are the key properties of 1,5,5-trimethyl-N-[(4-propan-2-ylphenyl)methyl]-4H-imidazol-2-amine;hydroiodide?
1,5,5-trimethyl-N-[(4-propan-2-ylphenyl)methyl]-4H-imidazol-2-amine;hydroiodide has a molecular weight of 387.31 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,5-trimethyl-N-[(4-propan-2-ylphenyl)methyl]-4H-imidazol-2-amine;hydroiodide is sourced from PubChem (CID 166326327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).