1-butyl-2-phenyl-5-(trifluoromethyl)imidazole

C14H15F3N2 — CID 175241563

IUPAC1-butyl-2-phenyl-5-(trifluoromethyl)imidazole
SMILESCCCCn1c(C(F)(F)F)cnc1-c1ccccc1
InChIInChI=1S/C14H15F3N2/c1-2-3-9-19-12(14(15,16)17)10-18-13(19)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3
InChIKeyNZURGYJIQKIOBR-UHFFFAOYSA-N
MW268.28 g/mol
LogP4.37
Rot. Bonds4

About 1-butyl-2-phenyl-5-(trifluoromethyl)imidazole

1-butyl-2-phenyl-5-(trifluoromethyl)imidazole (PubChem CID 175241563) has the molecular formula C14H15F3N2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 1-butyl-2-phenyl-5-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name1-butyl-2-phenyl-5-(trifluoromethyl)imidazole
PubChem CID175241563
Molecular FormulaC14H15F3N2
Molecular Weight268.28 g/mol
Exact Mass268.12
IUPAC Name1-butyl-2-phenyl-5-(trifluoromethyl)imidazole
SMILESCCCCn1c(C(F)(F)F)cnc1-c1ccccc1
InChIInChI=1S/C14H15F3N2/c1-2-3-9-19-12(14(15,16)17)10-18-13(19)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3
InChIKeyNZURGYJIQKIOBR-UHFFFAOYSA-N
XLogP4.37
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-1-phenylmethanamine
CID 69301657
N-butyl-N-[(3-butyl-2-phenylimidazol-4-yl)methyl]aniline
CID 20721205
1-butyl-4,5-dimethyl-2-phenylimidazole
CID 122623668
1-butyl-5-ethyl-2-(3-fluorophenyl)imidazole
CID 142148555
2-[[5-(trifluoromethyl)-2-[4-(trifluoromethylamino)phenyl]imidazol-1-yl]methyl]phenol
CID 155396016
1-butyl-2-[3-(trifluoromethyl)phenyl]benzimidazole
CID 134082335
1-butyl-2-(trifluoromethyl)benzimidazole
CID 3746789
N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]-1-phenylmethanamine
CID 10274945
4-[[benzyl-[(3-butyl-2-phenylimidazol-4-yl)methyl]amino]methyl]-N-methylaniline
CID 10181651
1-[3-butyl-5-[fluoro(dimethoxy)methyl]-2-phenylimidazol-4-yl]-N,N-dimethylmethanamine
CID 67208854
N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-N-[(4-methylphenyl)methyl]-2-phenylethanamine
CID 69325628
bis(1-methyl-2-phenylimidazole);pentane
CID 134304641

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-phenyl-5-(trifluoromethyl)imidazole?
The IUPAC name of 1-butyl-2-phenyl-5-(trifluoromethyl)imidazole (CID 175241563) is 1-butyl-2-phenyl-5-(trifluoromethyl)imidazole.
What is the SMILES notation for 1-butyl-2-phenyl-5-(trifluoromethyl)imidazole?
The canonical SMILES for 1-butyl-2-phenyl-5-(trifluoromethyl)imidazole is CCCCn1c(C(F)(F)F)cnc1-c1ccccc1.
What is the InChIKey of 1-butyl-2-phenyl-5-(trifluoromethyl)imidazole?
The InChIKey is NZURGYJIQKIOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2/c1-2-3-9-19-12(14(15,16)17)10-18-13(19)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3.
What are the key properties of 1-butyl-2-phenyl-5-(trifluoromethyl)imidazole?
1-butyl-2-phenyl-5-(trifluoromethyl)imidazole has a molecular weight of 268.28 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-phenyl-5-(trifluoromethyl)imidazole is sourced from PubChem (CID 175241563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).