N-[4-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]isoquinolin-5-amine

C25H17F3N4 — CID 11618845

IUPACN-[4-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]isoquinolin-5-amine
SMILESFC(F)(F)c1ccc(-c2[nH]c(Nc3cccc4cnccc34)nc2-c2ccccc2)cc1
InChIInChI=1S/C25H17F3N4/c26-25(27,28)19-11-9-17(10-12-19)23-22(16-5-2-1-3-6-16)31-24(32-23)30-21-8-4-7-18-15-29-14-13-20(18)21/h1-15H,(H2,30,31,32)
InChIKeyYLRWMULTPSECQG-UHFFFAOYSA-N
MW430.43 g/mol
LogP7.05
Rot. Bonds4

About N-[4-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]isoquinolin-5-amine

N-[4-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]isoquinolin-5-amine (PubChem CID 11618845) has the molecular formula C25H17F3N4 and a molecular weight of 430.43 g/mol. Its IUPAC name is N-[4-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]isoquinolin-5-amine.

Molecular Properties

Compound NameN-[4-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]isoquinolin-5-amine
PubChem CID11618845
Molecular FormulaC25H17F3N4
Molecular Weight430.43 g/mol
Exact Mass430.14
IUPAC NameN-[4-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]isoquinolin-5-amine
SMILESFC(F)(F)c1ccc(-c2[nH]c(Nc3cccc4cnccc34)nc2-c2ccccc2)cc1
InChIInChI=1S/C25H17F3N4/c26-25(27,28)19-11-9-17(10-12-19)23-22(16-5-2-1-3-6-16)31-24(32-23)30-21-8-4-7-18-15-29-14-13-20(18)21/h1-15H,(H2,30,31,32)
InChIKeyYLRWMULTPSECQG-UHFFFAOYSA-N
XLogP7.05
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.43
LogP ≤ 57.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]isoquinolin-5-amine?
The IUPAC name of N-[4-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]isoquinolin-5-amine (CID 11618845) is N-[4-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]isoquinolin-5-amine.
What is the SMILES notation for N-[4-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]isoquinolin-5-amine?
The canonical SMILES for N-[4-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]isoquinolin-5-amine is FC(F)(F)c1ccc(-c2[nH]c(Nc3cccc4cnccc34)nc2-c2ccccc2)cc1.
What is the InChIKey of N-[4-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]isoquinolin-5-amine?
The InChIKey is YLRWMULTPSECQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F3N4/c26-25(27,28)19-11-9-17(10-12-19)23-22(16-5-2-1-3-6-16)31-24(32-23)30-21-8-4-7-18-15-29-14-13-20(18)21/h1-15H,(H2,30,31,32).
What are the key properties of N-[4-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]isoquinolin-5-amine?
N-[4-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]isoquinolin-5-amine has a molecular weight of 430.43 g/mol, XLogP of 7.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]isoquinolin-5-amine is sourced from PubChem (CID 11618845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).