5-iodo-2-(4-isocyanophenyl)-1-[(2-methylphenyl)methyl]imidazole;4-isocyanobenzaldehyde;2-(4-isocyanophenyl)-4,5-dihydro-1H-imidazole;2-(4-isocyanophenyl)-1H-imidazole;2-(4-isocyanophenyl)-1-[(2-methylphenyl)methyl]imidazole;2-(4-isocyanophenyl)-1-[(2-methylphenyl)methyl]-5-(trifluoromethyl)imidazole;2-[[2-(4-isocyanophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenol;(4R)-7-[2-[[2-(4-isocyanophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]-4-methylheptan-2-one;(3R)-6-[2-[[2-(4-isocyanophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]-3-methylhexanoic acid;methane

C153H130F12IN25O7 — CID 158459078

IUPAC5-iodo-2-(4-isocyanophenyl)-1-[(2-methylphenyl)methyl]imidazole;4-isocyanobenzaldehyde;2-(4-isocyanophenyl)-4,5-dihydro-1H-imidazole;2-(4-isocyanophenyl)-1H-imidazole;2-(4-isocyanophenyl)-1-[(2-methylphenyl)methyl]imidazole;2-(4-isocyanophenyl)-1-[(2-methylphenyl)methyl]-5-(trifluoromethyl)imidazole;2-[[2-(4-isocyanophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenol;(4R)-7-[2-[[2-(4-isocyanophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]-4-methylheptan-2-one;(3R)-6-[2-[[2-(4-isocyanophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]-3-methylhexanoic acid;methane
SMILESC.[C-]#[N+]c1ccc(-c2ncc(C(F)(F)F)n2Cc2ccccc2C)cc1.[C-]#[N+]c1ccc(-c2ncc(C(F)(F)F)n2Cc2ccccc2O)cc1.[C-]#[N+]c1ccc(-c2ncc(C(F)(F)F)n2Cc2ccccc2OCCC[C@@H](C)CC(=O)O)cc1.[C-]#[N+]c1ccc(-c2ncc(C(F)(F)F)n2Cc2ccccc2OCCC[C@@H](C)CC(C)=O)cc1.[C-]#[N+]c1ccc(-c2ncc(I)n2Cc2ccccc2C)cc1.[C-]#[N+]c1ccc(-c2ncc[nH]2)cc1.[C-]#[N+]c1ccc(-c2nccn2Cc2ccccc2C)cc1.[C-]#[N+]c1ccc(C2=NCCN2)cc1.[C-]#[N+]c1ccc(C=O)cc1
InChIInChI=1S/C26H26F3N3O2.C25H24F3N3O3.C19H14F3N3.C18H12F3N3O.C18H14IN3.C18H15N3.C10H9N3.C10H7N3.C8H5NO.CH4/c1-18(15-19(2)33)7-6-14-34-23-9-5-4-8-21(23)17-32-24(26(27,28)29)16-31-25(32)20-10-12-22(30-3)13-11-20;1-17(14-23(32)33)6-5-13-34-21-8-4-3-7-19(21)16-31-22(25(26,27)28)15-30-24(31)18-9-11-20(29-2)12-10-18;1-13-5-3-4-6-15(13)12-25-17(19(20,21)22)11-24-18(25)14-7-9-16(23-2)10-8-14;1-22-14-8-6-12(7-9-14)17-23-10-16(18(19,20)21)24(17)11-13-4-2-3-5-15(13)25;1-13-5-3-4-6-15(13)12-22-17(19)11-21-18(22)14-7-9-16(20-2)10-8-14;1-14-5-3-4-6-16(14)13-21-12-11-20-18(21)15-7-9-17(19-2)10-8-15;2*1-11-9-4-2-8(3-5-9)10-12-6-7-13-10;1-9-8-4-2-7(6-10)3-5-8;/h4-5,8-13,16,18H,6-7,14-15,17H2,1-2H3;3-4,7-12,15,17H,5-6,13-14,16H2,1H3,(H,32,33);3-11H,12H2,1H3;2-10,25H,11H2;3-11H,12H2,1H3;3-12H,13H2,1H3;2-5H,6-7H2,(H,12,13);2-7H,(H,12,13);2-6H;1H4/t18-;17-;;;;;;;;/m11......../s1
InChIKeyHEYCHYLFJVQOJO-SWKWYODASA-N
MW2785.77 g/mol
LogP40.15
Rot. Bonds35

About 5-iodo-2-(4-isocyanophenyl)-1-[(2-methylphenyl)methyl]imidazole;4-isocyanobenzaldehyde;2-(4-isocyanophenyl)-4,5-dihydro-1H-imidazole;2-(4-isocyanophenyl)-1H-imidazole;2-(4-isocyanophenyl)-1-[(2-methylphenyl)methyl]imidazole;2-(4-isocyanophenyl)-1-[(2-methylphenyl)methyl]-5-(trifluoromethyl)imidazole;2-[[2-(4-isocyanophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenol;(4R)-7-[2-[[2-(4-isocyanophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]-4-methylheptan-2-one;(3R)-6-[2-[[2-(4-isocyanophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]-3-methylhexanoic acid;methane

5-iodo-2-(4-isocyanophenyl)-1-[(2-methylphenyl)methyl]imidazole;4-isocyanobenzaldehyde;2-(4-isocyanophenyl)-4,5-dihydro-1H-imidazole;2-(4-isocyanophenyl)-1H-imidazole;2-(4-isocyanophenyl)-1-[(2-methylphenyl)methyl]imidazole;2-(4-isocyanophenyl)-1-[(2-methylphenyl)methyl]-5-(trifluoromethyl)imidazole;2-[[2-(4-isocyanophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenol;(4R)-7-[2-[[2-(4-isocyanophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]-4-methylheptan-2-one;(3R)-6-[2-[[2-(4-isocyanophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]-3-methylhexanoic acid;methane (PubChem CID 158459078) has the molecular formula C153H130F12IN25O7 and a molecular weight of 2785.77 g/mol. Its IUPAC name is 5-iodo-2-(4-isocyanophenyl)-1-[(2-methylphenyl)methyl]imidazole;4-isocyanobenzaldehyde;2-(4-isocyanophenyl)-4,5-dihydro-1H-imidazole;2-(4-isocyanophenyl)-1H-imidazole;2-(4-isocyanophenyl)-1-[(2-methylphenyl)methyl]imidazole;2-(4-isocyanophenyl)-1-[(2-methylphenyl)methyl]-5-(trifluoromethyl)imidazole;2-[[2-(4-isocyanophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenol;(4R)-7-[2-[[2-(4-isocyanophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]-4-methylheptan-2-one;(3R)-6-[2-[[2-(4-isocyanophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]-3-methylhexanoic acid;methane.

Molecular Properties

Compound Name5-iodo-2-(4-isocyanophenyl)-1-[(2-methylphenyl)methyl]imidazole;4-isocyanobenzaldehyde;2-(4-isocyanophenyl)-4,5-dihydro-1H-imidazole;2-(4-isocyanophenyl)-1H-imidazole;2-(4-isocyanophenyl)-1-[(2-methylphenyl)methyl]imidazole;2-(4-isocyanophenyl)-1-[(2-methylphenyl)methyl]-5-(trifluoromethyl)imidazole;2-[[2-(4-isocyanophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenol;(4R)-7-[2-[[2-(4-isocyanophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]-4-methylheptan-2-one;(3R)-6-[2-[[2-(4-isocyanophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]-3-methylhexanoic acid;methane
PubChem CID158459078
Molecular FormulaC153H130F12IN25O7
Molecular Weight2785.77 g/mol
Exact Mass2783.94
IUPAC Name5-iodo-2-(4-isocyanophenyl)-1-[(2-methylphenyl)methyl]imidazole;4-isocyanobenzaldehyde;2-(4-isocyanophenyl)-4,5-dihydro-1H-imidazole;2-(4-isocyanophenyl)-1H-imidazole;2-(4-isocyanophenyl)-1-[(2-methylphenyl)methyl]imidazole;2-(4-isocyanophenyl)-1-[(2-methylphenyl)methyl]-5-(trifluoromethyl)imidazole;2-[[2-(4-isocyanophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenol;(4R)-7-[2-[[2-(4-isocyanophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]-4-methylheptan-2-one;(3R)-6-[2-[[2-(4-isocyanophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]-3-methylhexanoic acid;methane
SMILESC.[C-]#[N+]c1ccc(-c2ncc(C(F)(F)F)n2Cc2ccccc2C)cc1.[C-]#[N+]c1ccc(-c2ncc(C(F)(F)F)n2Cc2ccccc2O)cc1.[C-]#[N+]c1ccc(-c2ncc(C(F)(F)F)n2Cc2ccccc2OCCC[C@@H](C)CC(=O)O)cc1.[C-]#[N+]c1ccc(-c2ncc(C(F)(F)F)n2Cc2ccccc2OCCC[C@@H](C)CC(C)=O)cc1.[C-]#[N+]c1ccc(-c2ncc(I)n2Cc2ccccc2C)cc1.[C-]#[N+]c1ccc(-c2ncc[nH]2)cc1.[C-]#[N+]c1ccc(-c2nccn2Cc2ccccc2C)cc1.[C-]#[N+]c1ccc(C2=NCCN2)cc1.[C-]#[N+]c1ccc(C=O)cc1
InChIInChI=1S/C26H26F3N3O2.C25H24F3N3O3.C19H14F3N3.C18H12F3N3O.C18H14IN3.C18H15N3.C10H9N3.C10H7N3.C8H5NO.CH4/c1-18(15-19(2)33)7-6-14-34-23-9-5-4-8-21(23)17-32-24(26(27,28)29)16-31-25(32)20-10-12-22(30-3)13-11-20;1-17(14-23(32)33)6-5-13-34-21-8-4-3-7-19(21)16-31-22(25(26,27)28)15-30-24(31)18-9-11-20(29-2)12-10-18;1-13-5-3-4-6-15(13)12-25-17(19(20,21)22)11-24-18(25)14-7-9-16(23-2)10-8-14;1-22-14-8-6-12(7-9-14)17-23-10-16(18(19,20)21)24(17)11-13-4-2-3-5-15(13)25;1-13-5-3-4-6-15(13)12-22-17(19)11-21-18(22)14-7-9-16(20-2)10-8-14;1-14-5-3-4-6-16(14)13-21-12-11-20-18(21)15-7-9-17(19-2)10-8-15;2*1-11-9-4-2-8(3-5-9)10-12-6-7-13-10;1-9-8-4-2-7(6-10)3-5-8;/h4-5,8-13,16,18H,6-7,14-15,17H2,1-2H3;3-4,7-12,15,17H,5-6,13-14,16H2,1H3,(H,32,33);3-11H,12H2,1H3;2-10,25H,11H2;3-11H,12H2,1H3;3-12H,13H2,1H3;2-5H,6-7H2,(H,12,13);2-7H,(H,12,13);2-6H;1H4/t18-;17-;;;;;;;;/m11......../s1
InChIKeyHEYCHYLFJVQOJO-SWKWYODASA-N
XLogP40.15
TPSA309.36 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds35
Heavy Atoms198
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002785.77
LogP ≤ 540.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 5-iodo-2-(4-isocyanophenyl)-1-[(2-methylphenyl)methyl]imidazole;4-isocyanobenzaldehyde;2-(4-isocyanophenyl)-4,5-dihydro-1H-imidazole;2-(4-isocyanophenyl)-1H-imidazole;2-(4-isocyanophenyl)-1-[(2-methylphenyl)methyl]imidazole;2-(4-isocyanophenyl)-1-[(2-methylphenyl)methyl]-5-(trifluoromethyl)imidazole;2-[[2-(4-isocyanophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenol;(4R)-7-[2-[[2-(4-isocyanophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]-4-methylheptan-2-one;(3R)-6-[2-[[2-(4-isocyanophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]-3-methylhexanoic acid;methane with MolForge

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Related Compounds

tert-butyl (2S)-2-[5-[2-[4-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]phenyl]-1-benzofuran-5-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;(2S)-N-[4-[5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-1-benzofuran-2-yl]phenyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetaldehyde
CID 157174314
4-bromobenzaldehyde;2-(4-bromophenyl)-4,5-dihydro-1H-imidazole;2-(4-bromophenyl)-1H-imidazole;2-(4-bromophenyl)-5-iodo-1-[(2-methylphenyl)methyl]imidazole;2-(4-bromophenyl)-1-[(2-methylphenyl)methyl]imidazole;2-(4-bromophenyl)-1-[(2-methylphenyl)methyl]-5-(trifluoromethyl)imidazole;2-[[2-(4-bromophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenol;(4R)-7-[2-[[2-(4-bromophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]-4-methylheptan-2-one;(4R)-7-[2-[[2-[4-(furan-2-yl)phenyl]-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]-4-methylheptan-2-one;(3R)-6-[2-[[2-[4-(furan-2-yl)phenyl]-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]-3-methylhexanoic acid;methane
CID 157541434
4-fluorobenzoic acid;2-[(4-fluorobenzoyl)amino]acetic acid;2-(4-fluorophenyl)-1-[(2-methylphenyl)methyl]-5-(trifluoromethyl)imidazole;2-(4-fluorophenyl)-4-(2,2,2-trifluoroacetyl)-4H-1,3-oxazol-5-one;2-[[2-(4-fluorophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenol;(4R)-7-[2-[[2-(4-fluorophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]-4-methylheptan-2-one;(3R)-6-[2-[[2-(4-fluorophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]-3-methylhexanoic acid;4-fluoro-N-(3,3,3-trifluoro-2,2-dihydroxypropyl)benzamide;methane;methyl 2-[(4-fluorobenzoyl)amino]acetate
CID 157895121
7-[2-[[2-[4-(furan-2-yl)phenyl]-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]heptan-2-one;6-[2-[[2-[4-(furan-2-yl)phenyl]-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]hexanoic acid;4-iodobenzoic acid;2-[(4-iodobenzoyl)amino]acetic acid;2-(4-iodophenyl)-1-[(2-methylphenyl)methyl]-5-(trifluoromethyl)imidazole;2-(4-iodophenyl)-4-(2,2,2-trifluoroacetyl)-4H-1,3-oxazol-5-one;2-[[2-(4-iodophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenol;7-[2-[[2-(4-iodophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]heptan-2-one;4-iodo-N-(3,3,3-trifluoro-2,2-dihydroxypropyl)benzamide;methane;methyl 2-[(4-iodobenzoyl)amino]acetate
CID 159937682
5-iodo-1-[(2-methylphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]imidazole;methane;1-[(2-methylphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]imidazole;1-[(2-methylphenyl)methyl]-5-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]imidazole;(4R)-4-methyl-7-[2-[[5-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenoxy]heptan-2-one;(3R)-3-methyl-6-[2-[[5-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenoxy]hexanoic acid;4-(trifluoromethyl)benzaldehyde;2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazole;2-[4-(trifluoromethyl)phenyl]-1H-imidazole;2-[[5-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenol
CID 160008346
(3R)-6-[2-[[5-cyano-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenoxy]-3-methylhexanoic acid;3-[(2-hydroxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]imidazole-4-carbonitrile;5-iodo-1-[(2-methylphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]imidazole;methane;3-[[2-[(4R)-4-methyl-6-oxoheptoxy]phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]imidazole-4-carbonitrile;3-[(2-methylphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]imidazole-4-carbonitrile
CID 160491217
5-methyl-1-[(2-methylphenyl)methyl]-2-[4-(trifluoromethoxy)phenyl]imidazole;(4R)-4-methyl-7-[2-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]phenoxy]heptan-2-one;(3R)-3-methyl-6-[2-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]phenoxy]hexanoic acid;2-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]phenol;N-prop-2-ynyl-4-(trifluoromethoxy)benzamide;4-(trifluoromethoxy)benzoic acid
CID 161026395
N-[3-fluoro-4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-2-(oxan-4-yl)acetamide;2-[[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]carbamoyl]benzoic acid;3-[[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]carbamoyl]benzoic acid
CID 122583374
2-(4-iodophenyl)-5-methyl-1-[(2-methylphenyl)methyl]imidazole;(4R)-4-methyl-7-[2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenoxy]heptan-2-one;(3R)-3-methyl-6-[2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenoxy]hexanoic acid;2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenol;5-methyl-2-(4-methylphenyl)-1-[(2-methylphenyl)methyl]imidazole
CID 157138534
[2-[4-[3-[5-(2-acetyloxyphenyl)-1H-pyrrol-3-yl]phenyl]-1H-pyrrol-2-yl]phenyl] acetate;1-[2-[2-[3-[5-(2-acetylphenyl)-1H-imidazol-2-yl]phenyl]-1H-imidazol-5-yl]phenyl]ethanone;1-[4-[5-[3-[4-(4-acetylphenyl)-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-3-yl]phenyl]ethanone;butyl 2-[4-[3-[2-(2-butoxycarbonylphenyl)-1H-imidazol-5-yl]phenyl]-2,3-dihydro-1H-imidazol-2-yl]benzoate;2-[5-[3-[2-(2-cyanophenyl)-1H-imidazol-5-yl]phenyl]-1H-imidazol-2-yl]benzonitrile;2-[4-[3-[5-(2-formylphenyl)-1H-pyrrol-3-yl]phenyl]-1H-pyrrol-2-yl]benzaldehyde;methyl 2-[2-[5-[3-[2-[2-(2-methoxy-2-oxoethyl)phenyl]-1H-imidazol-5-yl]phenyl]-1H-imidazol-2-yl]phenyl]acetate;molecular fluorine;2-[2-(phenoxymethyl)phenyl]-4-[3-[5-[2-(phenoxymethyl)phenyl]-1H-pyrrol-3-yl]phenyl]-1H-pyrrole;hydrofluoride
CID 157602845
4-methylbenzoic acid;(4S)-4-methyl-7-[2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenoxy]heptan-2-one;(3S)-3-methyl-6-[2-[[5-methyl-2-(6-methyl-3-pyridinyl)imidazol-1-yl]methyl]phenoxy]hexanoic acid;2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenol;5-methyl-2-(4-methylphenyl)-1-[(2-methylphenyl)methyl]imidazole;4-methyl-N-prop-2-ynylbenzamide;sulfane
CID 157699561
(2S,6R)-2,6-dimethylpiperazine;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-(1-phenylimidazol-4-yl)chromen-2-one;7-fluorochromen-2-one;4-fluoro-2-hydroxybenzaldehyde;7-fluoro-3-(1H-imidazol-5-yl)chromen-2-one;7-fluoro-3-iodochromen-2-one;7-fluoro-3-(1-phenylimidazol-4-yl)chromen-2-one;7-fluoro-3-tributylstannylchromen-2-one;5-iodo-1H-imidazole;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine
CID 157925066

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-(4-isocyanophenyl)-1-[(2-methylphenyl)methyl]imidazole;4-isocyanobenzaldehyde;2-(4-isocyanophenyl)-4,5-dihydro-1H-imidazole;2-(4-isocyanophenyl)-1H-imidazole;2-(4-isocyanophenyl)-1-[(2-methylphenyl)methyl]imidazole;2-(4-isocyanophenyl)-1-[(2-methylphenyl)methyl]-5-(trifluoromethyl)imidazole;2-[[2-(4-isocyanophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenol;(4R)-7-[2-[[2-(4-isocyanophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]-4-methylheptan-2-one;(3R)-6-[2-[[2-(4-isocyanophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]-3-methylhexanoic acid;methane?
The IUPAC name of 5-iodo-2-(4-isocyanophenyl)-1-[(2-methylphenyl)methyl]imidazole;4-isocyanobenzaldehyde;2-(4-isocyanophenyl)-4,5-dihydro-1H-imidazole;2-(4-isocyanophenyl)-1H-imidazole;2-(4-isocyanophenyl)-1-[(2-methylphenyl)methyl]imidazole;2-(4-isocyanophenyl)-1-[(2-methylphenyl)methyl]-5-(trifluoromethyl)imidazole;2-[[2-(4-isocyanophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenol;(4R)-7-[2-[[2-(4-isocyanophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]-4-methylheptan-2-one;(3R)-6-[2-[[2-(4-isocyanophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]-3-methylhexanoic acid;methane (CID 158459078) is 5-iodo-2-(4-isocyanophenyl)-1-[(2-methylphenyl)methyl]imidazole;4-isocyanobenzaldehyde;2-(4-isocyanophenyl)-4,5-dihydro-1H-imidazole;2-(4-isocyanophenyl)-1H-imidazole;2-(4-isocyanophenyl)-1-[(2-methylphenyl)methyl]imidazole;2-(4-isocyanophenyl)-1-[(2-methylphenyl)methyl]-5-(trifluoromethyl)imidazole;2-[[2-(4-isocyanophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenol;(4R)-7-[2-[[2-(4-isocyanophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]-4-methylheptan-2-one;(3R)-6-[2-[[2-(4-isocyanophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]-3-methylhexanoic acid;methane.
What is the SMILES notation for 5-iodo-2-(4-isocyanophenyl)-1-[(2-methylphenyl)methyl]imidazole;4-isocyanobenzaldehyde;2-(4-isocyanophenyl)-4,5-dihydro-1H-imidazole;2-(4-isocyanophenyl)-1H-imidazole;2-(4-isocyanophenyl)-1-[(2-methylphenyl)methyl]imidazole;2-(4-isocyanophenyl)-1-[(2-methylphenyl)methyl]-5-(trifluoromethyl)imidazole;2-[[2-(4-isocyanophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenol;(4R)-7-[2-[[2-(4-isocyanophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]-4-methylheptan-2-one;(3R)-6-[2-[[2-(4-isocyanophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]-3-methylhexanoic acid;methane?
The canonical SMILES for 5-iodo-2-(4-isocyanophenyl)-1-[(2-methylphenyl)methyl]imidazole;4-isocyanobenzaldehyde;2-(4-isocyanophenyl)-4,5-dihydro-1H-imidazole;2-(4-isocyanophenyl)-1H-imidazole;2-(4-isocyanophenyl)-1-[(2-methylphenyl)methyl]imidazole;2-(4-isocyanophenyl)-1-[(2-methylphenyl)methyl]-5-(trifluoromethyl)imidazole;2-[[2-(4-isocyanophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenol;(4R)-7-[2-[[2-(4-isocyanophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]-4-methylheptan-2-one;(3R)-6-[2-[[2-(4-isocyanophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]-3-methylhexanoic acid;methane is C.[C-]#[N+]c1ccc(-c2ncc(C(F)(F)F)n2Cc2ccccc2C)cc1.[C-]#[N+]c1ccc(-c2ncc(C(F)(F)F)n2Cc2ccccc2O)cc1.[C-]#[N+]c1ccc(-c2ncc(C(F)(F)F)n2Cc2ccccc2OCCC[C@@H](C)CC(=O)O)cc1.[C-]#[N+]c1ccc(-c2ncc(C(F)(F)F)n2Cc2ccccc2OCCC[C@@H](C)CC(C)=O)cc1.[C-]#[N+]c1ccc(-c2ncc(I)n2Cc2ccccc2C)cc1.[C-]#[N+]c1ccc(-c2ncc[nH]2)cc1.[C-]#[N+]c1ccc(-c2nccn2Cc2ccccc2C)cc1.[C-]#[N+]c1ccc(C2=NCCN2)cc1.[C-]#[N+]c1ccc(C=O)cc1.
What is the InChIKey of 5-iodo-2-(4-isocyanophenyl)-1-[(2-methylphenyl)methyl]imidazole;4-isocyanobenzaldehyde;2-(4-isocyanophenyl)-4,5-dihydro-1H-imidazole;2-(4-isocyanophenyl)-1H-imidazole;2-(4-isocyanophenyl)-1-[(2-methylphenyl)methyl]imidazole;2-(4-isocyanophenyl)-1-[(2-methylphenyl)methyl]-5-(trifluoromethyl)imidazole;2-[[2-(4-isocyanophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenol;(4R)-7-[2-[[2-(4-isocyanophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]-4-methylheptan-2-one;(3R)-6-[2-[[2-(4-isocyanophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]-3-methylhexanoic acid;methane?
The InChIKey is HEYCHYLFJVQOJO-SWKWYODASA-N. The full InChI is InChI=1S/C26H26F3N3O2.C25H24F3N3O3.C19H14F3N3.C18H12F3N3O.C18H14IN3.C18H15N3.C10H9N3.C10H7N3.C8H5NO.CH4/c1-18(15-19(2)33)7-6-14-34-23-9-5-4-8-21(23)17-32-24(26(27,28)29)16-31-25(32)20-10-12-22(30-3)13-11-20;1-17(14-23(32)33)6-5-13-34-21-8-4-3-7-19(21)16-31-22(25(26,27)28)15-30-24(31)18-9-11-20(29-2)12-10-18;1-13-5-3-4-6-15(13)12-25-17(19(20,21)22)11-24-18(25)14-7-9-16(23-2)10-8-14;1-22-14-8-6-12(7-9-14)17-23-10-16(18(19,20)21)24(17)11-13-4-2-3-5-15(13)25;1-13-5-3-4-6-15(13)12-22-17(19)11-21-18(22)14-7-9-16(20-2)10-8-14;1-14-5-3-4-6-16(14)13-21-12-11-20-18(21)15-7-9-17(19-2)10-8-15;2*1-11-9-4-2-8(3-5-9)10-12-6-7-13-10;1-9-8-4-2-7(6-10)3-5-8;/h4-5,8-13,16,18H,6-7,14-15,17H2,1-2H3;3-4,7-12,15,17H,5-6,13-14,16H2,1H3,(H,32,33);3-11H,12H2,1H3;2-10,25H,11H2;3-11H,12H2,1H3;3-12H,13H2,1H3;2-5H,6-7H2,(H,12,13);2-7H,(H,12,13);2-6H;1H4/t18-;17-;;;;;;;;/m11......../s1.
What are the key properties of 5-iodo-2-(4-isocyanophenyl)-1-[(2-methylphenyl)methyl]imidazole;4-isocyanobenzaldehyde;2-(4-isocyanophenyl)-4,5-dihydro-1H-imidazole;2-(4-isocyanophenyl)-1H-imidazole;2-(4-isocyanophenyl)-1-[(2-methylphenyl)methyl]imidazole;2-(4-isocyanophenyl)-1-[(2-methylphenyl)methyl]-5-(trifluoromethyl)imidazole;2-[[2-(4-isocyanophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenol;(4R)-7-[2-[[2-(4-isocyanophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]-4-methylheptan-2-one;(3R)-6-[2-[[2-(4-isocyanophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]-3-methylhexanoic acid;methane?
5-iodo-2-(4-isocyanophenyl)-1-[(2-methylphenyl)methyl]imidazole;4-isocyanobenzaldehyde;2-(4-isocyanophenyl)-4,5-dihydro-1H-imidazole;2-(4-isocyanophenyl)-1H-imidazole;2-(4-isocyanophenyl)-1-[(2-methylphenyl)methyl]imidazole;2-(4-isocyanophenyl)-1-[(2-methylphenyl)methyl]-5-(trifluoromethyl)imidazole;2-[[2-(4-isocyanophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenol;(4R)-7-[2-[[2-(4-isocyanophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]-4-methylheptan-2-one;(3R)-6-[2-[[2-(4-isocyanophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]-3-methylhexanoic acid;methane has a molecular weight of 2785.77 g/mol, XLogP of 40.15, 35 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(4-isocyanophenyl)-1-[(2-methylphenyl)methyl]imidazole;4-isocyanobenzaldehyde;2-(4-isocyanophenyl)-4,5-dihydro-1H-imidazole;2-(4-isocyanophenyl)-1H-imidazole;2-(4-isocyanophenyl)-1-[(2-methylphenyl)methyl]imidazole;2-(4-isocyanophenyl)-1-[(2-methylphenyl)methyl]-5-(trifluoromethyl)imidazole;2-[[2-(4-isocyanophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenol;(4R)-7-[2-[[2-(4-isocyanophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]-4-methylheptan-2-one;(3R)-6-[2-[[2-(4-isocyanophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]-3-methylhexanoic acid;methane is sourced from PubChem (CID 158459078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).