1-benzyl-2,5-bis[3,5-bis(trifluoromethyl)phenyl]imidazole

C26H14F12N2 — CID 122388339

IUPAC1-benzyl-2,5-bis[3,5-bis(trifluoromethyl)phenyl]imidazole
SMILESFC(F)(F)c1cc(-c2cnc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2Cc2ccccc2)cc(C(F)(F)F)c1
InChIInChI=1S/C26H14F12N2/c27-23(28,29)17-6-15(7-18(10-17)24(30,31)32)21-12-39-22(40(21)13-14-4-2-1-3-5-14)16-8-19(25(33,34)35)11-20(9-16)26(36,37)38/h1-12H,13H2
InChIKeyVQDCTKXXUVTLOS-UHFFFAOYSA-N
MW582.39 g/mol
LogP9.34
Rot. Bonds4

About 1-benzyl-2,5-bis[3,5-bis(trifluoromethyl)phenyl]imidazole

1-benzyl-2,5-bis[3,5-bis(trifluoromethyl)phenyl]imidazole (PubChem CID 122388339) has the molecular formula C26H14F12N2 and a molecular weight of 582.39 g/mol. Its IUPAC name is 1-benzyl-2,5-bis[3,5-bis(trifluoromethyl)phenyl]imidazole.

Molecular Properties

Compound Name1-benzyl-2,5-bis[3,5-bis(trifluoromethyl)phenyl]imidazole
PubChem CID122388339
Molecular FormulaC26H14F12N2
Molecular Weight582.39 g/mol
Exact Mass582.10
IUPAC Name1-benzyl-2,5-bis[3,5-bis(trifluoromethyl)phenyl]imidazole
SMILESFC(F)(F)c1cc(-c2cnc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2Cc2ccccc2)cc(C(F)(F)F)c1
InChIInChI=1S/C26H14F12N2/c27-23(28,29)17-6-15(7-18(10-17)24(30,31)32)21-12-39-22(40(21)13-14-4-2-1-3-5-14)16-8-19(25(33,34)35)11-20(9-16)26(36,37)38/h1-12H,13H2
InChIKeyVQDCTKXXUVTLOS-UHFFFAOYSA-N
XLogP9.34
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.39
LogP ≤ 59.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 3401
4-(4-(4-fluorophenyl)-1-(3-phenylpropyl)-5-(4-pyridinyl)-1H-imidazol-2-yl)-3-butyn-1-ol
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PF-670462
CID 51049607
2-(3-Trifluoromethylphenyl)histamine
CID 5310982
L-790070
CID 9806182
4-[5-[2-(1-phenyl-ethylamino)-pyrimidin-4-yl]-1-methyl-4-(3-trifluoromethylphenyl)-1H-imidazol-2-yl]-piperidine
CID 447721
1-benzyl-5-phenyl-1H-imidazole
CID 10444038
2,6-Diphenylimidazo[1,2-a]pyridine
CID 58880626
2-(4-Fluorophenyl)imidazo[1,2-a]pyridine
CID 735319
4-(3-cyclohexyl-5-(4-fluoro-phenyl)-3H-imidazol-4-yl)pyrimidin-2-ylamine
CID 11681588
SB-216995
CID 5171
1H-Benzimidazole, 2-(2,6-difluorophenyl)-1-((2,6-difluorophenyl)methyl)-
CID 468847

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2,5-bis[3,5-bis(trifluoromethyl)phenyl]imidazole?
The IUPAC name of 1-benzyl-2,5-bis[3,5-bis(trifluoromethyl)phenyl]imidazole (CID 122388339) is 1-benzyl-2,5-bis[3,5-bis(trifluoromethyl)phenyl]imidazole.
What is the SMILES notation for 1-benzyl-2,5-bis[3,5-bis(trifluoromethyl)phenyl]imidazole?
The canonical SMILES for 1-benzyl-2,5-bis[3,5-bis(trifluoromethyl)phenyl]imidazole is FC(F)(F)c1cc(-c2cnc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2Cc2ccccc2)cc(C(F)(F)F)c1.
What is the InChIKey of 1-benzyl-2,5-bis[3,5-bis(trifluoromethyl)phenyl]imidazole?
The InChIKey is VQDCTKXXUVTLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H14F12N2/c27-23(28,29)17-6-15(7-18(10-17)24(30,31)32)21-12-39-22(40(21)13-14-4-2-1-3-5-14)16-8-19(25(33,34)35)11-20(9-16)26(36,37)38/h1-12H,13H2.
What are the key properties of 1-benzyl-2,5-bis[3,5-bis(trifluoromethyl)phenyl]imidazole?
1-benzyl-2,5-bis[3,5-bis(trifluoromethyl)phenyl]imidazole has a molecular weight of 582.39 g/mol, XLogP of 9.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2,5-bis[3,5-bis(trifluoromethyl)phenyl]imidazole is sourced from PubChem (CID 122388339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).