N-[5-(trifluoromethyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide

C19H19F3IN3 — CID 23321002

IUPACN-[5-(trifluoromethyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
SMILESFC(F)(F)c1ccc2c(c1)C(NC1=NCCN1)c1ccccc1CC2.I
InChIInChI=1S/C19H18F3N3.HI/c20-19(21,22)14-8-7-13-6-5-12-3-1-2-4-15(12)17(16(13)11-14)25-18-23-9-10-24-18;/h1-4,7-8,11,17H,5-6,9-10H2,(H2,23,24,25);1H
InChIKeyRHMZOXXFJLKGFX-UHFFFAOYSA-N
MW473.28 g/mol
LogP4.06
Rot. Bonds1

About N-[5-(trifluoromethyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide

N-[5-(trifluoromethyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide (PubChem CID 23321002) has the molecular formula C19H19F3IN3 and a molecular weight of 473.28 g/mol. Its IUPAC name is N-[5-(trifluoromethyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide.

Molecular Properties

Compound NameN-[5-(trifluoromethyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
PubChem CID23321002
Molecular FormulaC19H19F3IN3
Molecular Weight473.28 g/mol
Exact Mass473.06
IUPAC NameN-[5-(trifluoromethyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
SMILESFC(F)(F)c1ccc2c(c1)C(NC1=NCCN1)c1ccccc1CC2.I
InChIInChI=1S/C19H18F3N3.HI/c20-19(21,22)14-8-7-13-6-5-12-3-1-2-4-15(12)17(16(13)11-14)25-18-23-9-10-24-18;/h1-4,7-8,11,17H,5-6,9-10H2,(H2,23,24,25);1H
InChIKeyRHMZOXXFJLKGFX-UHFFFAOYSA-N
XLogP4.06
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.28
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[5-(trifluoromethyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-(trifluoromethyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
The IUPAC name of N-[5-(trifluoromethyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide (CID 23321002) is N-[5-(trifluoromethyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide.
What is the SMILES notation for N-[5-(trifluoromethyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
The canonical SMILES for N-[5-(trifluoromethyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide is FC(F)(F)c1ccc2c(c1)C(NC1=NCCN1)c1ccccc1CC2.I.
What is the InChIKey of N-[5-(trifluoromethyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
The InChIKey is RHMZOXXFJLKGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3.HI/c20-19(21,22)14-8-7-13-6-5-12-3-1-2-4-15(12)17(16(13)11-14)25-18-23-9-10-24-18;/h1-4,7-8,11,17H,5-6,9-10H2,(H2,23,24,25);1H.
What are the key properties of N-[5-(trifluoromethyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
N-[5-(trifluoromethyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide has a molecular weight of 473.28 g/mol, XLogP of 4.06, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(trifluoromethyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide is sourced from PubChem (CID 23321002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).