N-butyl-N-propylaniline;2-methyl-5-[3-(trifluoromethyl)phenyl]-1H-imidazole

C24H30F3N3 — CID 142070569

IUPACN-butyl-N-propylaniline;2-methyl-5-[3-(trifluoromethyl)phenyl]-1H-imidazole
SMILESCCCCN(CCC)c1ccccc1.Cc1ncc(-c2cccc(C(F)(F)F)c2)[nH]1
InChIInChI=1S/C13H21N.C11H9F3N2/c1-3-5-12-14(11-4-2)13-9-7-6-8-10-13;1-7-15-6-10(16-7)8-3-2-4-9(5-8)11(12,13)14/h6-10H,3-5,11-12H2,1-2H3;2-6H,1H3,(H,15,16)
InChIKeyORKNAYKCVDLBFG-UHFFFAOYSA-N
MW417.52 g/mol
LogP7.11
Rot. Bonds7

About N-butyl-N-propylaniline;2-methyl-5-[3-(trifluoromethyl)phenyl]-1H-imidazole

N-butyl-N-propylaniline;2-methyl-5-[3-(trifluoromethyl)phenyl]-1H-imidazole (PubChem CID 142070569) has the molecular formula C24H30F3N3 and a molecular weight of 417.52 g/mol. Its IUPAC name is N-butyl-N-propylaniline;2-methyl-5-[3-(trifluoromethyl)phenyl]-1H-imidazole.

Molecular Properties

Compound NameN-butyl-N-propylaniline;2-methyl-5-[3-(trifluoromethyl)phenyl]-1H-imidazole
PubChem CID142070569
Molecular FormulaC24H30F3N3
Molecular Weight417.52 g/mol
Exact Mass417.24
IUPAC NameN-butyl-N-propylaniline;2-methyl-5-[3-(trifluoromethyl)phenyl]-1H-imidazole
SMILESCCCCN(CCC)c1ccccc1.Cc1ncc(-c2cccc(C(F)(F)F)c2)[nH]1
InChIInChI=1S/C13H21N.C11H9F3N2/c1-3-5-12-14(11-4-2)13-9-7-6-8-10-13;1-7-15-6-10(16-7)8-3-2-4-9(5-8)11(12,13)14/h6-10H,3-5,11-12H2,1-2H3;2-6H,1H3,(H,15,16)
InChIKeyORKNAYKCVDLBFG-UHFFFAOYSA-N
XLogP7.11
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.52
LogP ≤ 57.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-propylaniline;2-methyl-5-[3-(trifluoromethyl)phenyl]-1H-imidazole?
The IUPAC name of N-butyl-N-propylaniline;2-methyl-5-[3-(trifluoromethyl)phenyl]-1H-imidazole (CID 142070569) is N-butyl-N-propylaniline;2-methyl-5-[3-(trifluoromethyl)phenyl]-1H-imidazole.
What is the SMILES notation for N-butyl-N-propylaniline;2-methyl-5-[3-(trifluoromethyl)phenyl]-1H-imidazole?
The canonical SMILES for N-butyl-N-propylaniline;2-methyl-5-[3-(trifluoromethyl)phenyl]-1H-imidazole is CCCCN(CCC)c1ccccc1.Cc1ncc(-c2cccc(C(F)(F)F)c2)[nH]1.
What is the InChIKey of N-butyl-N-propylaniline;2-methyl-5-[3-(trifluoromethyl)phenyl]-1H-imidazole?
The InChIKey is ORKNAYKCVDLBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N.C11H9F3N2/c1-3-5-12-14(11-4-2)13-9-7-6-8-10-13;1-7-15-6-10(16-7)8-3-2-4-9(5-8)11(12,13)14/h6-10H,3-5,11-12H2,1-2H3;2-6H,1H3,(H,15,16).
What are the key properties of N-butyl-N-propylaniline;2-methyl-5-[3-(trifluoromethyl)phenyl]-1H-imidazole?
N-butyl-N-propylaniline;2-methyl-5-[3-(trifluoromethyl)phenyl]-1H-imidazole has a molecular weight of 417.52 g/mol, XLogP of 7.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-propylaniline;2-methyl-5-[3-(trifluoromethyl)phenyl]-1H-imidazole is sourced from PubChem (CID 142070569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).