N-[2-[2-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]quinolin-4-amine

C23H15F3N4 — CID 118710890

IUPACN-[2-[2-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]quinolin-4-amine
SMILESFC(F)(F)c1ccccc1-c1nc2ccc(Nc3ccnc4ccccc34)cc2[nH]1
InChIInChI=1S/C23H15F3N4/c24-23(25,26)17-7-3-1-5-15(17)22-29-20-10-9-14(13-21(20)30-22)28-19-11-12-27-18-8-4-2-6-16(18)19/h1-13H,(H,27,28)(H,29,30)
InChIKeyUUEYLDZINFWAQV-UHFFFAOYSA-N
MW404.40 g/mol
LogP6.54
Rot. Bonds3

About N-[2-[2-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]quinolin-4-amine

N-[2-[2-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]quinolin-4-amine (PubChem CID 118710890) has the molecular formula C23H15F3N4 and a molecular weight of 404.40 g/mol. Its IUPAC name is N-[2-[2-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]quinolin-4-amine.

Molecular Properties

Compound NameN-[2-[2-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]quinolin-4-amine
PubChem CID118710890
Molecular FormulaC23H15F3N4
Molecular Weight404.40 g/mol
Exact Mass404.12
IUPAC NameN-[2-[2-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]quinolin-4-amine
SMILESFC(F)(F)c1ccccc1-c1nc2ccc(Nc3ccnc4ccccc34)cc2[nH]1
InChIInChI=1S/C23H15F3N4/c24-23(25,26)17-7-3-1-5-15(17)22-29-20-10-9-14(13-21(20)30-22)28-19-11-12-27-18-8-4-2-6-16(18)19/h1-13H,(H,27,28)(H,29,30)
InChIKeyUUEYLDZINFWAQV-UHFFFAOYSA-N
XLogP6.54
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.40
LogP ≤ 56.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]quinolin-4-amine?
The IUPAC name of N-[2-[2-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]quinolin-4-amine (CID 118710890) is N-[2-[2-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]quinolin-4-amine.
What is the SMILES notation for N-[2-[2-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]quinolin-4-amine?
The canonical SMILES for N-[2-[2-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]quinolin-4-amine is FC(F)(F)c1ccccc1-c1nc2ccc(Nc3ccnc4ccccc34)cc2[nH]1.
What is the InChIKey of N-[2-[2-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]quinolin-4-amine?
The InChIKey is UUEYLDZINFWAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F3N4/c24-23(25,26)17-7-3-1-5-15(17)22-29-20-10-9-14(13-21(20)30-22)28-19-11-12-27-18-8-4-2-6-16(18)19/h1-13H,(H,27,28)(H,29,30).
What are the key properties of N-[2-[2-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]quinolin-4-amine?
N-[2-[2-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]quinolin-4-amine has a molecular weight of 404.40 g/mol, XLogP of 6.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]quinolin-4-amine is sourced from PubChem (CID 118710890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).