2-butoxy-3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pyridine

C19H18F3N3O — CID 25265505

IUPAC2-butoxy-3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pyridine
SMILESCCCCOc1ncccc1-c1ncc(-c2cccc(C(F)(F)F)c2)[nH]1
InChIInChI=1S/C19H18F3N3O/c1-2-3-10-26-18-15(8-5-9-23-18)17-24-12-16(25-17)13-6-4-7-14(11-13)19(20,21)22/h4-9,11-12H,2-3,10H2,1H3,(H,24,25)
InChIKeyPTLZAJFSINCSLN-UHFFFAOYSA-N
MW361.37 g/mol
LogP5.34
Rot. Bonds6

About 2-butoxy-3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pyridine

2-butoxy-3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pyridine (PubChem CID 25265505) has the molecular formula C19H18F3N3O and a molecular weight of 361.37 g/mol. Its IUPAC name is 2-butoxy-3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pyridine.

Molecular Properties

Compound Name2-butoxy-3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pyridine
PubChem CID25265505
Molecular FormulaC19H18F3N3O
Molecular Weight361.37 g/mol
Exact Mass361.14
IUPAC Name2-butoxy-3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pyridine
SMILESCCCCOc1ncccc1-c1ncc(-c2cccc(C(F)(F)F)c2)[nH]1
InChIInChI=1S/C19H18F3N3O/c1-2-3-10-26-18-15(8-5-9-23-18)17-24-12-16(25-17)13-6-4-7-14(11-13)19(20,21)22/h4-9,11-12H,2-3,10H2,1H3,(H,24,25)
InChIKeyPTLZAJFSINCSLN-UHFFFAOYSA-N
XLogP5.34
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.37
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

butyl 2-[5-[3-[2-(2-butoxycarbonylphenyl)-1H-imidazol-5-yl]phenyl]-1H-imidazol-2-yl]benzoate
CID 129228372
2-phenyl-5-[3-(trifluoromethyl)phenyl]-1H-imidazole;tungsten(2+)
CID 22969457
3-[2-(2-methyl-3-pyridinyl)-1H-imidazol-5-yl]benzonitrile;pentane
CID 143794032
N-butyl-N-propylaniline;2-methyl-5-[3-(trifluoromethyl)phenyl]-1H-imidazole
CID 142070569
2-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pentan-1-amine
CID 65230757
[3-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methanol
CID 134621668
2-fluoro-3-[3-(trifluoromethyl)phenyl]pyridine
CID 133089697
2-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]pyridine
CID 10155997
phenyl-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methanol
CID 46942875
(4-fluorophenyl)-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methanol
CID 46943500
2-methoxy-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyridine
CID 134620714
methyl 3-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 134634607

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pyridine?
The IUPAC name of 2-butoxy-3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pyridine (CID 25265505) is 2-butoxy-3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pyridine.
What is the SMILES notation for 2-butoxy-3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pyridine?
The canonical SMILES for 2-butoxy-3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pyridine is CCCCOc1ncccc1-c1ncc(-c2cccc(C(F)(F)F)c2)[nH]1.
What is the InChIKey of 2-butoxy-3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pyridine?
The InChIKey is PTLZAJFSINCSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O/c1-2-3-10-26-18-15(8-5-9-23-18)17-24-12-16(25-17)13-6-4-7-14(11-13)19(20,21)22/h4-9,11-12H,2-3,10H2,1H3,(H,24,25).
What are the key properties of 2-butoxy-3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pyridine?
2-butoxy-3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pyridine has a molecular weight of 361.37 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pyridine is sourced from PubChem (CID 25265505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).