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

C19H18F3N3 — CID 23321003

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
SMILESFC(F)(F)c1ccc2c(c1)C(NC1=NCCN1)c1ccccc1CC2
InChIInChI=1S/C19H18F3N3/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)
InChIKeyLIBFFCJUSNJUOX-UHFFFAOYSA-N
MW345.37 g/mol
LogP3.44
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

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 (PubChem CID 23321003) has the molecular formula C19H18F3N3 and a molecular weight of 345.37 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.

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
PubChem CID23321003
Molecular FormulaC19H18F3N3
Molecular Weight345.37 g/mol
Exact Mass345.15
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
SMILESFC(F)(F)c1ccc2c(c1)C(NC1=NCCN1)c1ccccc1CC2
InChIInChI=1S/C19H18F3N3/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)
InChIKeyLIBFFCJUSNJUOX-UHFFFAOYSA-N
XLogP3.44
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 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?
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 (CID 23321003) 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.
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?
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 is FC(F)(F)c1ccc2c(c1)C(NC1=NCCN1)c1ccccc1CC2.
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?
The InChIKey is LIBFFCJUSNJUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3/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).
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?
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 has a molecular weight of 345.37 g/mol, XLogP of 3.44, 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 is sourced from PubChem (CID 23321003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).