7-chloro-N-[3-[2-phenyl-5-(trifluoromethyl)benzimidazol-1-yl]propyl]quinolin-4-amine

C26H20ClF3N4 — CID 155548490

IUPAC7-chloro-N-[3-[2-phenyl-5-(trifluoromethyl)benzimidazol-1-yl]propyl]quinolin-4-amine
SMILESFC(F)(F)c1ccc2c(c1)nc(-c1ccccc1)n2CCCNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C26H20ClF3N4/c27-19-8-9-20-21(11-13-32-22(20)16-19)31-12-4-14-34-24-10-7-18(26(28,29)30)15-23(24)33-25(34)17-5-2-1-3-6-17/h1-3,5-11,13,15-16H,4,12,14H2,(H,31,32)
InChIKeyKHFXSECYPGIPJT-UHFFFAOYSA-N
MW480.92 g/mol
LogP7.43
Rot. Bonds6

About 7-chloro-N-[3-[2-phenyl-5-(trifluoromethyl)benzimidazol-1-yl]propyl]quinolin-4-amine

7-chloro-N-[3-[2-phenyl-5-(trifluoromethyl)benzimidazol-1-yl]propyl]quinolin-4-amine (PubChem CID 155548490) has the molecular formula C26H20ClF3N4 and a molecular weight of 480.92 g/mol. Its IUPAC name is 7-chloro-N-[3-[2-phenyl-5-(trifluoromethyl)benzimidazol-1-yl]propyl]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[3-[2-phenyl-5-(trifluoromethyl)benzimidazol-1-yl]propyl]quinolin-4-amine
PubChem CID155548490
Molecular FormulaC26H20ClF3N4
Molecular Weight480.92 g/mol
Exact Mass480.13
IUPAC Name7-chloro-N-[3-[2-phenyl-5-(trifluoromethyl)benzimidazol-1-yl]propyl]quinolin-4-amine
SMILESFC(F)(F)c1ccc2c(c1)nc(-c1ccccc1)n2CCCNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C26H20ClF3N4/c27-19-8-9-20-21(11-13-32-22(20)16-19)31-12-4-14-34-24-10-7-18(26(28,29)30)15-23(24)33-25(34)17-5-2-1-3-6-17/h1-3,5-11,13,15-16H,4,12,14H2,(H,31,32)
InChIKeyKHFXSECYPGIPJT-UHFFFAOYSA-N
XLogP7.43
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.92
LogP ≤ 57.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[3-[2-phenyl-5-(trifluoromethyl)benzimidazol-1-yl]propyl]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[3-[2-phenyl-5-(trifluoromethyl)benzimidazol-1-yl]propyl]quinolin-4-amine (CID 155548490) is 7-chloro-N-[3-[2-phenyl-5-(trifluoromethyl)benzimidazol-1-yl]propyl]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[3-[2-phenyl-5-(trifluoromethyl)benzimidazol-1-yl]propyl]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[3-[2-phenyl-5-(trifluoromethyl)benzimidazol-1-yl]propyl]quinolin-4-amine is FC(F)(F)c1ccc2c(c1)nc(-c1ccccc1)n2CCCNc1ccnc2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-N-[3-[2-phenyl-5-(trifluoromethyl)benzimidazol-1-yl]propyl]quinolin-4-amine?
The InChIKey is KHFXSECYPGIPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClF3N4/c27-19-8-9-20-21(11-13-32-22(20)16-19)31-12-4-14-34-24-10-7-18(26(28,29)30)15-23(24)33-25(34)17-5-2-1-3-6-17/h1-3,5-11,13,15-16H,4,12,14H2,(H,31,32).
What are the key properties of 7-chloro-N-[3-[2-phenyl-5-(trifluoromethyl)benzimidazol-1-yl]propyl]quinolin-4-amine?
7-chloro-N-[3-[2-phenyl-5-(trifluoromethyl)benzimidazol-1-yl]propyl]quinolin-4-amine has a molecular weight of 480.92 g/mol, XLogP of 7.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[3-[2-phenyl-5-(trifluoromethyl)benzimidazol-1-yl]propyl]quinolin-4-amine is sourced from PubChem (CID 155548490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).