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

C24H17ClN4 — CID 24788892

IUPACN-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]isoquinolin-1-amine
SMILESClc1ccc(Nc2nccc3ccccc23)cc1-c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C24H17ClN4/c25-21-11-10-18(28-23-19-9-5-4-6-16(19)12-13-26-23)14-20(21)24-27-15-22(29-24)17-7-2-1-3-8-17/h1-15H,(H,26,28)(H,27,29)
InChIKeyUSCUNZFONNHOGC-UHFFFAOYSA-N
MW396.88 g/mol
LogP6.69
Rot. Bonds4

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

N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]isoquinolin-1-amine (PubChem CID 24788892) has the molecular formula C24H17ClN4 and a molecular weight of 396.88 g/mol. Its IUPAC name is N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]isoquinolin-1-amine.

Molecular Properties

Compound NameN-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]isoquinolin-1-amine
PubChem CID24788892
Molecular FormulaC24H17ClN4
Molecular Weight396.88 g/mol
Exact Mass396.11
IUPAC NameN-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]isoquinolin-1-amine
SMILESClc1ccc(Nc2nccc3ccccc23)cc1-c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C24H17ClN4/c25-21-11-10-18(28-23-19-9-5-4-6-16(19)12-13-26-23)14-20(21)24-27-15-22(29-24)17-7-2-1-3-8-17/h1-15H,(H,26,28)(H,27,29)
InChIKeyUSCUNZFONNHOGC-UHFFFAOYSA-N
XLogP6.69
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.88
LogP ≤ 56.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]isoquinolin-1-amine?
The IUPAC name of N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]isoquinolin-1-amine (CID 24788892) is N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]isoquinolin-1-amine.
What is the SMILES notation for N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]isoquinolin-1-amine?
The canonical SMILES for N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]isoquinolin-1-amine is Clc1ccc(Nc2nccc3ccccc23)cc1-c1ncc(-c2ccccc2)[nH]1.
What is the InChIKey of N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]isoquinolin-1-amine?
The InChIKey is USCUNZFONNHOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN4/c25-21-11-10-18(28-23-19-9-5-4-6-16(19)12-13-26-23)14-20(21)24-27-15-22(29-24)17-7-2-1-3-8-17/h1-15H,(H,26,28)(H,27,29).
What are the key properties of N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]isoquinolin-1-amine?
N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]isoquinolin-1-amine has a molecular weight of 396.88 g/mol, XLogP of 6.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]isoquinolin-1-amine is sourced from PubChem (CID 24788892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).