5-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)phenyl]isoquinolin-1-amine

C24H17FN4 — CID 70246252

IUPAC5-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)phenyl]isoquinolin-1-amine
SMILESFc1ccc(-c2cccc3c(Nc4cccc(-c5ncc[nH]5)c4)nccc23)cc1
InChIInChI=1S/C24H17FN4/c25-18-9-7-16(8-10-18)20-5-2-6-22-21(20)11-12-26-24(22)29-19-4-1-3-17(15-19)23-27-13-14-28-23/h1-15H,(H,26,29)(H,27,28)
InChIKeyRPIWTDGYBULQHB-UHFFFAOYSA-N
MW380.43 g/mol
LogP6.17
Rot. Bonds4

About 5-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)phenyl]isoquinolin-1-amine

5-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)phenyl]isoquinolin-1-amine (PubChem CID 70246252) has the molecular formula C24H17FN4 and a molecular weight of 380.43 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)phenyl]isoquinolin-1-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)phenyl]isoquinolin-1-amine
PubChem CID70246252
Molecular FormulaC24H17FN4
Molecular Weight380.43 g/mol
Exact Mass380.14
IUPAC Name5-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)phenyl]isoquinolin-1-amine
SMILESFc1ccc(-c2cccc3c(Nc4cccc(-c5ncc[nH]5)c4)nccc23)cc1
InChIInChI=1S/C24H17FN4/c25-18-9-7-16(8-10-18)20-5-2-6-22-21(20)11-12-26-24(22)29-19-4-1-3-17(15-19)23-27-13-14-28-23/h1-15H,(H,26,29)(H,27,28)
InChIKeyRPIWTDGYBULQHB-UHFFFAOYSA-N
XLogP6.17
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.43
LogP ≤ 56.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)phenyl]isoquinolin-1-amine?
The IUPAC name of 5-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)phenyl]isoquinolin-1-amine (CID 70246252) is 5-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)phenyl]isoquinolin-1-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)phenyl]isoquinolin-1-amine?
The canonical SMILES for 5-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)phenyl]isoquinolin-1-amine is Fc1ccc(-c2cccc3c(Nc4cccc(-c5ncc[nH]5)c4)nccc23)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)phenyl]isoquinolin-1-amine?
The InChIKey is RPIWTDGYBULQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN4/c25-18-9-7-16(8-10-18)20-5-2-6-22-21(20)11-12-26-24(22)29-19-4-1-3-17(15-19)23-27-13-14-28-23/h1-15H,(H,26,29)(H,27,28).
What are the key properties of 5-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)phenyl]isoquinolin-1-amine?
5-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)phenyl]isoquinolin-1-amine has a molecular weight of 380.43 g/mol, XLogP of 6.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)phenyl]isoquinolin-1-amine is sourced from PubChem (CID 70246252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).