N-[5-(trifluoromethylsulfanyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl]-4,5-dihydro-1H-imidazol-2-amine

C19H16F3N3S — CID 23321017

IUPACN-[5-(trifluoromethylsulfanyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESFC(F)(F)Sc1ccc2c(c1)C(NC1=NCCN1)c1ccccc1C=C2
InChIInChI=1S/C19H16F3N3S/c20-19(21,22)26-14-8-7-13-6-5-12-3-1-2-4-15(12)17(16(13)11-14)25-18-23-9-10-24-18/h1-8,11,17H,9-10H2,(H2,23,24,25)
InChIKeyQSKXFPDAPGDBJX-UHFFFAOYSA-N
MW375.42 g/mol
LogP4.42
Rot. Bonds2

About N-[5-(trifluoromethylsulfanyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl]-4,5-dihydro-1H-imidazol-2-amine

N-[5-(trifluoromethylsulfanyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 23321017) has the molecular formula C19H16F3N3S and a molecular weight of 375.42 g/mol. Its IUPAC name is N-[5-(trifluoromethylsulfanyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[5-(trifluoromethylsulfanyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID23321017
Molecular FormulaC19H16F3N3S
Molecular Weight375.42 g/mol
Exact Mass375.10
IUPAC NameN-[5-(trifluoromethylsulfanyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESFC(F)(F)Sc1ccc2c(c1)C(NC1=NCCN1)c1ccccc1C=C2
InChIInChI=1S/C19H16F3N3S/c20-19(21,22)26-14-8-7-13-6-5-12-3-1-2-4-15(12)17(16(13)11-14)25-18-23-9-10-24-18/h1-8,11,17H,9-10H2,(H2,23,24,25)
InChIKeyQSKXFPDAPGDBJX-UHFFFAOYSA-N
XLogP4.42
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[5-(trifluoromethylsulfanyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl]-4,5-dihydro-1H-imidazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-(trifluoromethylsulfanyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[5-(trifluoromethylsulfanyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl]-4,5-dihydro-1H-imidazol-2-amine (CID 23321017) is N-[5-(trifluoromethylsulfanyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[5-(trifluoromethylsulfanyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[5-(trifluoromethylsulfanyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl]-4,5-dihydro-1H-imidazol-2-amine is FC(F)(F)Sc1ccc2c(c1)C(NC1=NCCN1)c1ccccc1C=C2.
What is the InChIKey of N-[5-(trifluoromethylsulfanyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is QSKXFPDAPGDBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3S/c20-19(21,22)26-14-8-7-13-6-5-12-3-1-2-4-15(12)17(16(13)11-14)25-18-23-9-10-24-18/h1-8,11,17H,9-10H2,(H2,23,24,25).
What are the key properties of N-[5-(trifluoromethylsulfanyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl]-4,5-dihydro-1H-imidazol-2-amine?
N-[5-(trifluoromethylsulfanyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 375.42 g/mol, XLogP of 4.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(trifluoromethylsulfanyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 23321017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).