1-(4-bromo-3-fluorophenyl)-2-phenyl-4-(trifluoromethyl)imidazole;1-(3-fluoro-4-isocyanophenyl)-2-phenyl-4-(trifluoromethyl)imidazole;2-isocyano-N,N-dimethyl-5-[2-phenyl-4-(trifluoromethyl)imidazol-1-yl]aniline;methane

C53H37BrF11N9 — CID 158298552

IUPAC1-(4-bromo-3-fluorophenyl)-2-phenyl-4-(trifluoromethyl)imidazole;1-(3-fluoro-4-isocyanophenyl)-2-phenyl-4-(trifluoromethyl)imidazole;2-isocyano-N,N-dimethyl-5-[2-phenyl-4-(trifluoromethyl)imidazol-1-yl]aniline;methane
SMILESC.Fc1cc(-n2cc(C(F)(F)F)nc2-c2ccccc2)ccc1Br.[C-]#[N+]c1ccc(-n2cc(C(F)(F)F)nc2-c2ccccc2)cc1F.[C-]#[N+]c1ccc(-n2cc(C(F)(F)F)nc2-c2ccccc2)cc1N(C)C
InChIInChI=1S/C19H15F3N4.C17H9F4N3.C16H9BrF4N2.CH4/c1-23-15-10-9-14(11-16(15)25(2)3)26-12-17(19(20,21)22)24-18(26)13-7-5-4-6-8-13;1-22-14-8-7-12(9-13(14)18)24-10-15(17(19,20)21)23-16(24)11-5-3-2-4-6-11;17-12-7-6-11(8-13(12)18)23-9-14(16(19,20)21)22-15(23)10-4-2-1-3-5-10;/h4-12H,2-3H3;2-10H;1-9H;1H4
InChIKeyGMFHPLAYFSYLGX-UHFFFAOYSA-N
MW1088.82 g/mol
LogP16.52
Rot. Bonds7

About 1-(4-bromo-3-fluorophenyl)-2-phenyl-4-(trifluoromethyl)imidazole;1-(3-fluoro-4-isocyanophenyl)-2-phenyl-4-(trifluoromethyl)imidazole;2-isocyano-N,N-dimethyl-5-[2-phenyl-4-(trifluoromethyl)imidazol-1-yl]aniline;methane

1-(4-bromo-3-fluorophenyl)-2-phenyl-4-(trifluoromethyl)imidazole;1-(3-fluoro-4-isocyanophenyl)-2-phenyl-4-(trifluoromethyl)imidazole;2-isocyano-N,N-dimethyl-5-[2-phenyl-4-(trifluoromethyl)imidazol-1-yl]aniline;methane (PubChem CID 158298552) has the molecular formula C53H37BrF11N9 and a molecular weight of 1088.82 g/mol. Its IUPAC name is 1-(4-bromo-3-fluorophenyl)-2-phenyl-4-(trifluoromethyl)imidazole;1-(3-fluoro-4-isocyanophenyl)-2-phenyl-4-(trifluoromethyl)imidazole;2-isocyano-N,N-dimethyl-5-[2-phenyl-4-(trifluoromethyl)imidazol-1-yl]aniline;methane.

Molecular Properties

Compound Name1-(4-bromo-3-fluorophenyl)-2-phenyl-4-(trifluoromethyl)imidazole;1-(3-fluoro-4-isocyanophenyl)-2-phenyl-4-(trifluoromethyl)imidazole;2-isocyano-N,N-dimethyl-5-[2-phenyl-4-(trifluoromethyl)imidazol-1-yl]aniline;methane
PubChem CID158298552
Molecular FormulaC53H37BrF11N9
Molecular Weight1088.82 g/mol
Exact Mass1087.22
IUPAC Name1-(4-bromo-3-fluorophenyl)-2-phenyl-4-(trifluoromethyl)imidazole;1-(3-fluoro-4-isocyanophenyl)-2-phenyl-4-(trifluoromethyl)imidazole;2-isocyano-N,N-dimethyl-5-[2-phenyl-4-(trifluoromethyl)imidazol-1-yl]aniline;methane
SMILESC.Fc1cc(-n2cc(C(F)(F)F)nc2-c2ccccc2)ccc1Br.[C-]#[N+]c1ccc(-n2cc(C(F)(F)F)nc2-c2ccccc2)cc1F.[C-]#[N+]c1ccc(-n2cc(C(F)(F)F)nc2-c2ccccc2)cc1N(C)C
InChIInChI=1S/C19H15F3N4.C17H9F4N3.C16H9BrF4N2.CH4/c1-23-15-10-9-14(11-16(15)25(2)3)26-12-17(19(20,21)22)24-18(26)13-7-5-4-6-8-13;1-22-14-8-7-12(9-13(14)18)24-10-15(17(19,20)21)23-16(24)11-5-3-2-4-6-11;17-12-7-6-11(8-13(12)18)23-9-14(16(19,20)21)22-15(23)10-4-2-1-3-5-10;/h4-12H,2-3H3;2-10H;1-9H;1H4
InChIKeyGMFHPLAYFSYLGX-UHFFFAOYSA-N
XLogP16.52
TPSA65.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001088.82
LogP ≤ 516.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-(4-bromo-3-fluorophenyl)-2-phenyl-4-(trifluoromethyl)imidazole;1-(3-fluoro-4-isocyanophenyl)-2-phenyl-4-(trifluoromethyl)imidazole;2-isocyano-N,N-dimethyl-5-[2-phenyl-4-(trifluoromethyl)imidazol-1-yl]aniline;methane with MolForge

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Related Compounds

4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-phenylimidazol-1-yl]-N,N-bis[4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-phenylimidazol-1-yl]phenyl]aniline
CID 58085477
6-Bromo-5-fluoro-1-[(4-fluorophenyl)methyl]-2-[5-(imidazol-1-ylmethyl)-3-pyridinyl]benzimidazole
CID 129069657
2-(4-fluorophenyl)-1-[4-[4-[4-[2-(4-fluorophenyl)benzimidazol-1-yl]phenyl]-6-[4-[2-(4-fluorophenyl)-4-[(1Z,3Z)-hexa-1,3-dienyl]imidazol-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]benzimidazole
CID 155186103
2-[(E)-2-(4-bromophenyl)ethenyl]-1-ethyl-4-[3-(trifluoromethyl)phenyl]imidazole
CID 159067796
1-[3-bromo-5-(trifluoromethyl)phenyl]-4-methylimidazole;diphenylmethanimine;methane;3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline;N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1,1-diphenylmethanimine;hydroiodide
CID 159295980
1-N,1-N-bis[4-(2,3,4,5,6-pentafluoro-N-(2,3,4,5,6-pentafluorophenyl)anilino)-2,5-bis(trifluoromethyl)phenyl]-4-N,4-N-bis(2,3,4,5,6-pentafluorophenyl)-2,5-bis(trifluoromethyl)benzene-1,4-diamine;4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-phenylimidazol-1-yl]-N,N-bis[4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-phenylimidazol-1-yl]phenyl]aniline;1-N,1-N,3-N,3-N,5-N,5-N-hexakis[4-(trifluoromethyl)phenyl]benzene-1,3,5-triamine
CID 160513252
1-[3-bromo-5-(trifluoromethyl)phenyl]-4-methylimidazole;diphenylmethanimine;methane;3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline;N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1,1-diphenylmethanimine;hydroiodide
CID 161417430
2-[6-bromo-1-[(5-bromo-3-methyl-2-pyridin-2-ylbenzimidazol-1-ium-1-yl)methyl]benzimidazol-2-yl]-N-[[6-bromo-2-(3-fluorophenyl)benzimidazol-1-yl]methyl]benzonitrilium
CID 169245085
6-Bromo-1-methylbenzimidazole;3-fluoro-4-[(3-methylbenzimidazol-5-yl)amino]benzonitrile;3-fluoro-4-[methyl-(3-methylbenzimidazol-5-yl)amino]benzonitrile
CID 157075572
9-(4-Bromophenyl)carbazole;8-(4-carbazol-9-ylphenyl)-15-pyridin-4-yl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene
CID 159418146
N-benzyl-N-[(5-bromo-3-butyl-2-phenylimidazol-4-yl)methyl]butan-1-amine;N-butyl-N-[(3-butyl-2-phenylimidazol-4-yl)methyl]aniline
CID 160172516

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-fluorophenyl)-2-phenyl-4-(trifluoromethyl)imidazole;1-(3-fluoro-4-isocyanophenyl)-2-phenyl-4-(trifluoromethyl)imidazole;2-isocyano-N,N-dimethyl-5-[2-phenyl-4-(trifluoromethyl)imidazol-1-yl]aniline;methane?
The IUPAC name of 1-(4-bromo-3-fluorophenyl)-2-phenyl-4-(trifluoromethyl)imidazole;1-(3-fluoro-4-isocyanophenyl)-2-phenyl-4-(trifluoromethyl)imidazole;2-isocyano-N,N-dimethyl-5-[2-phenyl-4-(trifluoromethyl)imidazol-1-yl]aniline;methane (CID 158298552) is 1-(4-bromo-3-fluorophenyl)-2-phenyl-4-(trifluoromethyl)imidazole;1-(3-fluoro-4-isocyanophenyl)-2-phenyl-4-(trifluoromethyl)imidazole;2-isocyano-N,N-dimethyl-5-[2-phenyl-4-(trifluoromethyl)imidazol-1-yl]aniline;methane.
What is the SMILES notation for 1-(4-bromo-3-fluorophenyl)-2-phenyl-4-(trifluoromethyl)imidazole;1-(3-fluoro-4-isocyanophenyl)-2-phenyl-4-(trifluoromethyl)imidazole;2-isocyano-N,N-dimethyl-5-[2-phenyl-4-(trifluoromethyl)imidazol-1-yl]aniline;methane?
The canonical SMILES for 1-(4-bromo-3-fluorophenyl)-2-phenyl-4-(trifluoromethyl)imidazole;1-(3-fluoro-4-isocyanophenyl)-2-phenyl-4-(trifluoromethyl)imidazole;2-isocyano-N,N-dimethyl-5-[2-phenyl-4-(trifluoromethyl)imidazol-1-yl]aniline;methane is C.Fc1cc(-n2cc(C(F)(F)F)nc2-c2ccccc2)ccc1Br.[C-]#[N+]c1ccc(-n2cc(C(F)(F)F)nc2-c2ccccc2)cc1F.[C-]#[N+]c1ccc(-n2cc(C(F)(F)F)nc2-c2ccccc2)cc1N(C)C.
What is the InChIKey of 1-(4-bromo-3-fluorophenyl)-2-phenyl-4-(trifluoromethyl)imidazole;1-(3-fluoro-4-isocyanophenyl)-2-phenyl-4-(trifluoromethyl)imidazole;2-isocyano-N,N-dimethyl-5-[2-phenyl-4-(trifluoromethyl)imidazol-1-yl]aniline;methane?
The InChIKey is GMFHPLAYFSYLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4.C17H9F4N3.C16H9BrF4N2.CH4/c1-23-15-10-9-14(11-16(15)25(2)3)26-12-17(19(20,21)22)24-18(26)13-7-5-4-6-8-13;1-22-14-8-7-12(9-13(14)18)24-10-15(17(19,20)21)23-16(24)11-5-3-2-4-6-11;17-12-7-6-11(8-13(12)18)23-9-14(16(19,20)21)22-15(23)10-4-2-1-3-5-10;/h4-12H,2-3H3;2-10H;1-9H;1H4.
What are the key properties of 1-(4-bromo-3-fluorophenyl)-2-phenyl-4-(trifluoromethyl)imidazole;1-(3-fluoro-4-isocyanophenyl)-2-phenyl-4-(trifluoromethyl)imidazole;2-isocyano-N,N-dimethyl-5-[2-phenyl-4-(trifluoromethyl)imidazol-1-yl]aniline;methane?
1-(4-bromo-3-fluorophenyl)-2-phenyl-4-(trifluoromethyl)imidazole;1-(3-fluoro-4-isocyanophenyl)-2-phenyl-4-(trifluoromethyl)imidazole;2-isocyano-N,N-dimethyl-5-[2-phenyl-4-(trifluoromethyl)imidazol-1-yl]aniline;methane has a molecular weight of 1088.82 g/mol, XLogP of 16.52, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-fluorophenyl)-2-phenyl-4-(trifluoromethyl)imidazole;1-(3-fluoro-4-isocyanophenyl)-2-phenyl-4-(trifluoromethyl)imidazole;2-isocyano-N,N-dimethyl-5-[2-phenyl-4-(trifluoromethyl)imidazol-1-yl]aniline;methane is sourced from PubChem (CID 158298552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).