5-chloro-3-isocyano-6-methyl-2-propan-2-yl-1H-indole;5-chloro-3-isocyano-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-chloro-2-methyl-5-propan-2-ylpyridine;5-fluoro-3-isocyano-6-methyl-2-propan-2-yl-1H-indole;5-fluoro-3-isocyano-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;8-fluoro-3-methylidene-6-propan-2-yl-4H-chromene;5-fluoro-6-methyl-2-propan-2-yl-1H-benzimidazole;3-isocyano-6-methyl-2-propan-2-yl-1H-indole-5-carbonitrile;3-isocyano-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;3-methylidene-6-propan-2-yl-4H-chromene;3-methylidene-6-propan-2-yl-4H-chromene-8-carbonitrile;3-methylidene-6-propan-2-yl-4H-pyrano[3,2-b]pyridine;7-methylidene-2-propan-2-yl-8H-pyrano[3,2-d]pyrimidine;3-methylidene-6-propan-2-yl-4H-thiochromene;3-methylidene-6-propan-2-yl-4H-thiopyrano[2,3-b]pyridine;3-methylidene-6-propan-2-yl-4H-thiopyrano[3,2-b]pyridine;2-methyl-5-propan-2-ylpyridine-3-carbonitrile;6-methyl-2-propan-2-yl-5-(trifluoromethyl)-1H-benzimidazole

C219H246Cl3F7N30O5S3 — CID 161002396

IUPAC5-chloro-3-isocyano-6-methyl-2-propan-2-yl-1H-indole;5-chloro-3-isocyano-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-chloro-2-methyl-5-propan-2-ylpyridine;5-fluoro-3-isocyano-6-methyl-2-propan-2-yl-1H-indole;5-fluoro-3-isocyano-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;8-fluoro-3-methylidene-6-propan-2-yl-4H-chromene;5-fluoro-6-methyl-2-propan-2-yl-1H-benzimidazole;3-isocyano-6-methyl-2-propan-2-yl-1H-indole-5-carbonitrile;3-isocyano-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;3-methylidene-6-propan-2-yl-4H-chromene;3-methylidene-6-propan-2-yl-4H-chromene-8-carbonitrile;3-methylidene-6-propan-2-yl-4H-pyrano[3,2-b]pyridine;7-methylidene-2-propan-2-yl-8H-pyrano[3,2-d]pyrimidine;3-methylidene-6-propan-2-yl-4H-thiochromene;3-methylidene-6-propan-2-yl-4H-thiopyrano[2,3-b]pyridine;3-methylidene-6-propan-2-yl-4H-thiopyrano[3,2-b]pyridine;2-methyl-5-propan-2-ylpyridine-3-carbonitrile;6-methyl-2-propan-2-yl-5-(trifluoromethyl)-1H-benzimidazole
SMILESC=C1COc2c(C#N)cc(C(C)C)cc2C1.C=C1COc2c(F)cc(C(C)C)cc2C1.C=C1COc2ccc(C(C)C)cc2C1.C=C1COc2ccc(C(C)C)nc2C1.C=C1COc2cnc(C(C)C)nc2C1.C=C1CSc2ccc(C(C)C)cc2C1.C=C1CSc2ccc(C(C)C)nc2C1.C=C1CSc2ncc(C(C)C)cc2C1.Cc1cc2[nH]c(C(C)C)nc2cc1C(F)(F)F.Cc1cc2[nH]c(C(C)C)nc2cc1F.Cc1ncc(C(C)C)cc1C#N.Cc1ncc(C(C)C)cc1Cl.[C-]#[N+]c1c(C(C)C)[nH]c2cc(C)c(C#N)cc12.[C-]#[N+]c1c(C(C)C)[nH]c2cc(C)c(Cl)cc12.[C-]#[N+]c1c(C(C)C)[nH]c2cc(C)c(F)cc12.[C-]#[N+]c1c(C(C)C)[nH]c2nc(C)c(C#N)cc12.[C-]#[N+]c1c(C(C)C)[nH]c2nc(C)c(Cl)cc12.[C-]#[N+]c1c(C(C)C)[nH]c2nc(C)c(F)cc12
InChIInChI=1S/C14H13N3.C14H15NO.C13H13ClN2.C13H13FN2.C13H15FO.C13H12N4.C13H16O.C13H16S.C12H12ClN3.C12H13F3N2.C12H12FN3.C12H15NO.2C12H15NS.C11H13FN2.C11H14N2O.C10H12N2.C9H12ClN/c1-8(2)13-14(16-4)11-6-10(7-15)9(3)5-12(11)17-13;1-9(2)11-5-12-4-10(3)8-16-14(12)13(6-11)7-15;2*1-7(2)12-13(15-4)9-6-10(14)8(3)5-11(9)16-12;1-8(2)10-5-11-4-9(3)7-15-13(11)12(14)6-10;1-7(2)11-12(15-4)10-5-9(6-14)8(3)16-13(10)17-11;2*1-9(2)11-4-5-13-12(7-11)6-10(3)8-14-13;1-6(2)10-11(14-4)8-5-9(13)7(3)15-12(8)16-10;1-6(2)11-16-9-4-7(3)8(12(13,14)15)5-10(9)17-11;1-6(2)10-11(14-4)8-5-9(13)7(3)15-12(8)16-10;1-8(2)10-4-5-12-11(13-10)6-9(3)7-14-12;1-8(2)11-5-10-4-9(3)7-14-12(10)13-6-11;1-8(2)10-4-5-12-11(13-10)6-9(3)7-14-12;1-6(2)11-13-9-4-7(3)8(12)5-10(9)14-11;1-7(2)11-12-5-10-9(13-11)4-8(3)6-14-10;1-7(2)10-4-9(5-11)8(3)12-6-10;1-6(2)8-4-9(10)7(3)11-5-8/h5-6,8,17H,1-3H3;5-6,9H,3-4,8H2,1-2H3;2*5-7,16H,1-3H3;5-6,8H,3-4,7H2,1-2H3;5,7H,1-3H3,(H,16,17);2*4-5,7,9H,3,6,8H2,1-2H3;5-6H,1-3H3,(H,15,16);4-6H,1-3H3,(H,16,17);5-6H,1-3H3,(H,15,16);4-5,8H,3,6-7H2,1-2H3;5-6,8H,3-4,7H2,1-2H3;4-5,8H,3,6-7H2,1-2H3;4-6H,1-3H3,(H,13,14);5,7H,3-4,6H2,1-2H3;4,6-7H,1-3H3;4-6H,1-3H3
InChIKeyTWBBLQCTMOQGCH-UHFFFAOYSA-N
MW3714.13 g/mol
LogP62.65
Rot. Bonds18

About 5-chloro-3-isocyano-6-methyl-2-propan-2-yl-1H-indole;5-chloro-3-isocyano-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-chloro-2-methyl-5-propan-2-ylpyridine;5-fluoro-3-isocyano-6-methyl-2-propan-2-yl-1H-indole;5-fluoro-3-isocyano-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;8-fluoro-3-methylidene-6-propan-2-yl-4H-chromene;5-fluoro-6-methyl-2-propan-2-yl-1H-benzimidazole;3-isocyano-6-methyl-2-propan-2-yl-1H-indole-5-carbonitrile;3-isocyano-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;3-methylidene-6-propan-2-yl-4H-chromene;3-methylidene-6-propan-2-yl-4H-chromene-8-carbonitrile;3-methylidene-6-propan-2-yl-4H-pyrano[3,2-b]pyridine;7-methylidene-2-propan-2-yl-8H-pyrano[3,2-d]pyrimidine;3-methylidene-6-propan-2-yl-4H-thiochromene;3-methylidene-6-propan-2-yl-4H-thiopyrano[2,3-b]pyridine;3-methylidene-6-propan-2-yl-4H-thiopyrano[3,2-b]pyridine;2-methyl-5-propan-2-ylpyridine-3-carbonitrile;6-methyl-2-propan-2-yl-5-(trifluoromethyl)-1H-benzimidazole

5-chloro-3-isocyano-6-methyl-2-propan-2-yl-1H-indole;5-chloro-3-isocyano-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-chloro-2-methyl-5-propan-2-ylpyridine;5-fluoro-3-isocyano-6-methyl-2-propan-2-yl-1H-indole;5-fluoro-3-isocyano-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;8-fluoro-3-methylidene-6-propan-2-yl-4H-chromene;5-fluoro-6-methyl-2-propan-2-yl-1H-benzimidazole;3-isocyano-6-methyl-2-propan-2-yl-1H-indole-5-carbonitrile;3-isocyano-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;3-methylidene-6-propan-2-yl-4H-chromene;3-methylidene-6-propan-2-yl-4H-chromene-8-carbonitrile;3-methylidene-6-propan-2-yl-4H-pyrano[3,2-b]pyridine;7-methylidene-2-propan-2-yl-8H-pyrano[3,2-d]pyrimidine;3-methylidene-6-propan-2-yl-4H-thiochromene;3-methylidene-6-propan-2-yl-4H-thiopyrano[2,3-b]pyridine;3-methylidene-6-propan-2-yl-4H-thiopyrano[3,2-b]pyridine;2-methyl-5-propan-2-ylpyridine-3-carbonitrile;6-methyl-2-propan-2-yl-5-(trifluoromethyl)-1H-benzimidazole (PubChem CID 161002396) has the molecular formula C219H246Cl3F7N30O5S3 and a molecular weight of 3714.13 g/mol. Its IUPAC name is 5-chloro-3-isocyano-6-methyl-2-propan-2-yl-1H-indole;5-chloro-3-isocyano-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-chloro-2-methyl-5-propan-2-ylpyridine;5-fluoro-3-isocyano-6-methyl-2-propan-2-yl-1H-indole;5-fluoro-3-isocyano-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;8-fluoro-3-methylidene-6-propan-2-yl-4H-chromene;5-fluoro-6-methyl-2-propan-2-yl-1H-benzimidazole;3-isocyano-6-methyl-2-propan-2-yl-1H-indole-5-carbonitrile;3-isocyano-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;3-methylidene-6-propan-2-yl-4H-chromene;3-methylidene-6-propan-2-yl-4H-chromene-8-carbonitrile;3-methylidene-6-propan-2-yl-4H-pyrano[3,2-b]pyridine;7-methylidene-2-propan-2-yl-8H-pyrano[3,2-d]pyrimidine;3-methylidene-6-propan-2-yl-4H-thiochromene;3-methylidene-6-propan-2-yl-4H-thiopyrano[2,3-b]pyridine;3-methylidene-6-propan-2-yl-4H-thiopyrano[3,2-b]pyridine;2-methyl-5-propan-2-ylpyridine-3-carbonitrile;6-methyl-2-propan-2-yl-5-(trifluoromethyl)-1H-benzimidazole.

Molecular Properties

Compound Name5-chloro-3-isocyano-6-methyl-2-propan-2-yl-1H-indole;5-chloro-3-isocyano-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-chloro-2-methyl-5-propan-2-ylpyridine;5-fluoro-3-isocyano-6-methyl-2-propan-2-yl-1H-indole;5-fluoro-3-isocyano-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;8-fluoro-3-methylidene-6-propan-2-yl-4H-chromene;5-fluoro-6-methyl-2-propan-2-yl-1H-benzimidazole;3-isocyano-6-methyl-2-propan-2-yl-1H-indole-5-carbonitrile;3-isocyano-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;3-methylidene-6-propan-2-yl-4H-chromene;3-methylidene-6-propan-2-yl-4H-chromene-8-carbonitrile;3-methylidene-6-propan-2-yl-4H-pyrano[3,2-b]pyridine;7-methylidene-2-propan-2-yl-8H-pyrano[3,2-d]pyrimidine;3-methylidene-6-propan-2-yl-4H-thiochromene;3-methylidene-6-propan-2-yl-4H-thiopyrano[2,3-b]pyridine;3-methylidene-6-propan-2-yl-4H-thiopyrano[3,2-b]pyridine;2-methyl-5-propan-2-ylpyridine-3-carbonitrile;6-methyl-2-propan-2-yl-5-(trifluoromethyl)-1H-benzimidazole
PubChem CID161002396
Molecular FormulaC219H246Cl3F7N30O5S3
Molecular Weight3714.13 g/mol
Exact Mass3709.80
IUPAC Name5-chloro-3-isocyano-6-methyl-2-propan-2-yl-1H-indole;5-chloro-3-isocyano-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-chloro-2-methyl-5-propan-2-ylpyridine;5-fluoro-3-isocyano-6-methyl-2-propan-2-yl-1H-indole;5-fluoro-3-isocyano-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;8-fluoro-3-methylidene-6-propan-2-yl-4H-chromene;5-fluoro-6-methyl-2-propan-2-yl-1H-benzimidazole;3-isocyano-6-methyl-2-propan-2-yl-1H-indole-5-carbonitrile;3-isocyano-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;3-methylidene-6-propan-2-yl-4H-chromene;3-methylidene-6-propan-2-yl-4H-chromene-8-carbonitrile;3-methylidene-6-propan-2-yl-4H-pyrano[3,2-b]pyridine;7-methylidene-2-propan-2-yl-8H-pyrano[3,2-d]pyrimidine;3-methylidene-6-propan-2-yl-4H-thiochromene;3-methylidene-6-propan-2-yl-4H-thiopyrano[2,3-b]pyridine;3-methylidene-6-propan-2-yl-4H-thiopyrano[3,2-b]pyridine;2-methyl-5-propan-2-ylpyridine-3-carbonitrile;6-methyl-2-propan-2-yl-5-(trifluoromethyl)-1H-benzimidazole
SMILESC=C1COc2c(C#N)cc(C(C)C)cc2C1.C=C1COc2c(F)cc(C(C)C)cc2C1.C=C1COc2ccc(C(C)C)cc2C1.C=C1COc2ccc(C(C)C)nc2C1.C=C1COc2cnc(C(C)C)nc2C1.C=C1CSc2ccc(C(C)C)cc2C1.C=C1CSc2ccc(C(C)C)nc2C1.C=C1CSc2ncc(C(C)C)cc2C1.Cc1cc2[nH]c(C(C)C)nc2cc1C(F)(F)F.Cc1cc2[nH]c(C(C)C)nc2cc1F.Cc1ncc(C(C)C)cc1C#N.Cc1ncc(C(C)C)cc1Cl.[C-]#[N+]c1c(C(C)C)[nH]c2cc(C)c(C#N)cc12.[C-]#[N+]c1c(C(C)C)[nH]c2cc(C)c(Cl)cc12.[C-]#[N+]c1c(C(C)C)[nH]c2cc(C)c(F)cc12.[C-]#[N+]c1c(C(C)C)[nH]c2nc(C)c(C#N)cc12.[C-]#[N+]c1c(C(C)C)[nH]c2nc(C)c(Cl)cc12.[C-]#[N+]c1c(C(C)C)[nH]c2nc(C)c(F)cc12
InChIInChI=1S/C14H13N3.C14H15NO.C13H13ClN2.C13H13FN2.C13H15FO.C13H12N4.C13H16O.C13H16S.C12H12ClN3.C12H13F3N2.C12H12FN3.C12H15NO.2C12H15NS.C11H13FN2.C11H14N2O.C10H12N2.C9H12ClN/c1-8(2)13-14(16-4)11-6-10(7-15)9(3)5-12(11)17-13;1-9(2)11-5-12-4-10(3)8-16-14(12)13(6-11)7-15;2*1-7(2)12-13(15-4)9-6-10(14)8(3)5-11(9)16-12;1-8(2)10-5-11-4-9(3)7-15-13(11)12(14)6-10;1-7(2)11-12(15-4)10-5-9(6-14)8(3)16-13(10)17-11;2*1-9(2)11-4-5-13-12(7-11)6-10(3)8-14-13;1-6(2)10-11(14-4)8-5-9(13)7(3)15-12(8)16-10;1-6(2)11-16-9-4-7(3)8(12(13,14)15)5-10(9)17-11;1-6(2)10-11(14-4)8-5-9(13)7(3)15-12(8)16-10;1-8(2)10-4-5-12-11(13-10)6-9(3)7-14-12;1-8(2)11-5-10-4-9(3)7-14-12(10)13-6-11;1-8(2)10-4-5-12-11(13-10)6-9(3)7-14-12;1-6(2)11-13-9-4-7(3)8(12)5-10(9)14-11;1-7(2)11-12-5-10-9(13-11)4-8(3)6-14-10;1-7(2)10-4-9(5-11)8(3)12-6-10;1-6(2)8-4-9(10)7(3)11-5-8/h5-6,8,17H,1-3H3;5-6,9H,3-4,8H2,1-2H3;2*5-7,16H,1-3H3;5-6,8H,3-4,7H2,1-2H3;5,7H,1-3H3,(H,16,17);2*4-5,7,9H,3,6,8H2,1-2H3;5-6H,1-3H3,(H,15,16);4-6H,1-3H3,(H,16,17);5-6H,1-3H3,(H,15,16);4-5,8H,3,6-7H2,1-2H3;5-6,8H,3-4,7H2,1-2H3;4-5,8H,3,6-7H2,1-2H3;4-6H,1-3H3,(H,13,14);5,7H,3-4,6H2,1-2H3;4,6-7H,1-3H3;4-6H,1-3H3
InChIKeyTWBBLQCTMOQGCH-UHFFFAOYSA-N
XLogP62.65
TPSA448.47 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds18
Heavy Atoms267
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003714.13
LogP ≤ 562.65
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Analyze 5-chloro-3-isocyano-6-methyl-2-propan-2-yl-1H-indole;5-chloro-3-isocyano-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-chloro-2-methyl-5-propan-2-ylpyridine;5-fluoro-3-isocyano-6-methyl-2-propan-2-yl-1H-indole;5-fluoro-3-isocyano-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;8-fluoro-3-methylidene-6-propan-2-yl-4H-chromene;5-fluoro-6-methyl-2-propan-2-yl-1H-benzimidazole;3-isocyano-6-methyl-2-propan-2-yl-1H-indole-5-carbonitrile;3-isocyano-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;3-methylidene-6-propan-2-yl-4H-chromene;3-methylidene-6-propan-2-yl-4H-chromene-8-carbonitrile;3-methylidene-6-propan-2-yl-4H-pyrano[3,2-b]pyridine;7-methylidene-2-propan-2-yl-8H-pyrano[3,2-d]pyrimidine;3-methylidene-6-propan-2-yl-4H-thiochromene;3-methylidene-6-propan-2-yl-4H-thiopyrano[2,3-b]pyridine;3-methylidene-6-propan-2-yl-4H-thiopyrano[3,2-b]pyridine;2-methyl-5-propan-2-ylpyridine-3-carbonitrile;6-methyl-2-propan-2-yl-5-(trifluoromethyl)-1H-benzimidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-isocyano-6-methyl-2-propan-2-yl-1H-indole;5-chloro-3-isocyano-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-chloro-2-methyl-5-propan-2-ylpyridine;5-fluoro-3-isocyano-6-methyl-2-propan-2-yl-1H-indole;5-fluoro-3-isocyano-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;8-fluoro-3-methylidene-6-propan-2-yl-4H-chromene;5-fluoro-6-methyl-2-propan-2-yl-1H-benzimidazole;3-isocyano-6-methyl-2-propan-2-yl-1H-indole-5-carbonitrile;3-isocyano-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;3-methylidene-6-propan-2-yl-4H-chromene;3-methylidene-6-propan-2-yl-4H-chromene-8-carbonitrile;3-methylidene-6-propan-2-yl-4H-pyrano[3,2-b]pyridine;7-methylidene-2-propan-2-yl-8H-pyrano[3,2-d]pyrimidine;3-methylidene-6-propan-2-yl-4H-thiochromene;3-methylidene-6-propan-2-yl-4H-thiopyrano[2,3-b]pyridine;3-methylidene-6-propan-2-yl-4H-thiopyrano[3,2-b]pyridine;2-methyl-5-propan-2-ylpyridine-3-carbonitrile;6-methyl-2-propan-2-yl-5-(trifluoromethyl)-1H-benzimidazole?
The IUPAC name of 5-chloro-3-isocyano-6-methyl-2-propan-2-yl-1H-indole;5-chloro-3-isocyano-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-chloro-2-methyl-5-propan-2-ylpyridine;5-fluoro-3-isocyano-6-methyl-2-propan-2-yl-1H-indole;5-fluoro-3-isocyano-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;8-fluoro-3-methylidene-6-propan-2-yl-4H-chromene;5-fluoro-6-methyl-2-propan-2-yl-1H-benzimidazole;3-isocyano-6-methyl-2-propan-2-yl-1H-indole-5-carbonitrile;3-isocyano-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;3-methylidene-6-propan-2-yl-4H-chromene;3-methylidene-6-propan-2-yl-4H-chromene-8-carbonitrile;3-methylidene-6-propan-2-yl-4H-pyrano[3,2-b]pyridine;7-methylidene-2-propan-2-yl-8H-pyrano[3,2-d]pyrimidine;3-methylidene-6-propan-2-yl-4H-thiochromene;3-methylidene-6-propan-2-yl-4H-thiopyrano[2,3-b]pyridine;3-methylidene-6-propan-2-yl-4H-thiopyrano[3,2-b]pyridine;2-methyl-5-propan-2-ylpyridine-3-carbonitrile;6-methyl-2-propan-2-yl-5-(trifluoromethyl)-1H-benzimidazole (CID 161002396) is 5-chloro-3-isocyano-6-methyl-2-propan-2-yl-1H-indole;5-chloro-3-isocyano-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-chloro-2-methyl-5-propan-2-ylpyridine;5-fluoro-3-isocyano-6-methyl-2-propan-2-yl-1H-indole;5-fluoro-3-isocyano-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;8-fluoro-3-methylidene-6-propan-2-yl-4H-chromene;5-fluoro-6-methyl-2-propan-2-yl-1H-benzimidazole;3-isocyano-6-methyl-2-propan-2-yl-1H-indole-5-carbonitrile;3-isocyano-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;3-methylidene-6-propan-2-yl-4H-chromene;3-methylidene-6-propan-2-yl-4H-chromene-8-carbonitrile;3-methylidene-6-propan-2-yl-4H-pyrano[3,2-b]pyridine;7-methylidene-2-propan-2-yl-8H-pyrano[3,2-d]pyrimidine;3-methylidene-6-propan-2-yl-4H-thiochromene;3-methylidene-6-propan-2-yl-4H-thiopyrano[2,3-b]pyridine;3-methylidene-6-propan-2-yl-4H-thiopyrano[3,2-b]pyridine;2-methyl-5-propan-2-ylpyridine-3-carbonitrile;6-methyl-2-propan-2-yl-5-(trifluoromethyl)-1H-benzimidazole.
What is the SMILES notation for 5-chloro-3-isocyano-6-methyl-2-propan-2-yl-1H-indole;5-chloro-3-isocyano-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-chloro-2-methyl-5-propan-2-ylpyridine;5-fluoro-3-isocyano-6-methyl-2-propan-2-yl-1H-indole;5-fluoro-3-isocyano-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;8-fluoro-3-methylidene-6-propan-2-yl-4H-chromene;5-fluoro-6-methyl-2-propan-2-yl-1H-benzimidazole;3-isocyano-6-methyl-2-propan-2-yl-1H-indole-5-carbonitrile;3-isocyano-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;3-methylidene-6-propan-2-yl-4H-chromene;3-methylidene-6-propan-2-yl-4H-chromene-8-carbonitrile;3-methylidene-6-propan-2-yl-4H-pyrano[3,2-b]pyridine;7-methylidene-2-propan-2-yl-8H-pyrano[3,2-d]pyrimidine;3-methylidene-6-propan-2-yl-4H-thiochromene;3-methylidene-6-propan-2-yl-4H-thiopyrano[2,3-b]pyridine;3-methylidene-6-propan-2-yl-4H-thiopyrano[3,2-b]pyridine;2-methyl-5-propan-2-ylpyridine-3-carbonitrile;6-methyl-2-propan-2-yl-5-(trifluoromethyl)-1H-benzimidazole?
The canonical SMILES for 5-chloro-3-isocyano-6-methyl-2-propan-2-yl-1H-indole;5-chloro-3-isocyano-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-chloro-2-methyl-5-propan-2-ylpyridine;5-fluoro-3-isocyano-6-methyl-2-propan-2-yl-1H-indole;5-fluoro-3-isocyano-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;8-fluoro-3-methylidene-6-propan-2-yl-4H-chromene;5-fluoro-6-methyl-2-propan-2-yl-1H-benzimidazole;3-isocyano-6-methyl-2-propan-2-yl-1H-indole-5-carbonitrile;3-isocyano-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;3-methylidene-6-propan-2-yl-4H-chromene;3-methylidene-6-propan-2-yl-4H-chromene-8-carbonitrile;3-methylidene-6-propan-2-yl-4H-pyrano[3,2-b]pyridine;7-methylidene-2-propan-2-yl-8H-pyrano[3,2-d]pyrimidine;3-methylidene-6-propan-2-yl-4H-thiochromene;3-methylidene-6-propan-2-yl-4H-thiopyrano[2,3-b]pyridine;3-methylidene-6-propan-2-yl-4H-thiopyrano[3,2-b]pyridine;2-methyl-5-propan-2-ylpyridine-3-carbonitrile;6-methyl-2-propan-2-yl-5-(trifluoromethyl)-1H-benzimidazole is C=C1COc2c(C#N)cc(C(C)C)cc2C1.C=C1COc2c(F)cc(C(C)C)cc2C1.C=C1COc2ccc(C(C)C)cc2C1.C=C1COc2ccc(C(C)C)nc2C1.C=C1COc2cnc(C(C)C)nc2C1.C=C1CSc2ccc(C(C)C)cc2C1.C=C1CSc2ccc(C(C)C)nc2C1.C=C1CSc2ncc(C(C)C)cc2C1.Cc1cc2[nH]c(C(C)C)nc2cc1C(F)(F)F.Cc1cc2[nH]c(C(C)C)nc2cc1F.Cc1ncc(C(C)C)cc1C#N.Cc1ncc(C(C)C)cc1Cl.[C-]#[N+]c1c(C(C)C)[nH]c2cc(C)c(C#N)cc12.[C-]#[N+]c1c(C(C)C)[nH]c2cc(C)c(Cl)cc12.[C-]#[N+]c1c(C(C)C)[nH]c2cc(C)c(F)cc12.[C-]#[N+]c1c(C(C)C)[nH]c2nc(C)c(C#N)cc12.[C-]#[N+]c1c(C(C)C)[nH]c2nc(C)c(Cl)cc12.[C-]#[N+]c1c(C(C)C)[nH]c2nc(C)c(F)cc12.
What is the InChIKey of 5-chloro-3-isocyano-6-methyl-2-propan-2-yl-1H-indole;5-chloro-3-isocyano-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-chloro-2-methyl-5-propan-2-ylpyridine;5-fluoro-3-isocyano-6-methyl-2-propan-2-yl-1H-indole;5-fluoro-3-isocyano-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;8-fluoro-3-methylidene-6-propan-2-yl-4H-chromene;5-fluoro-6-methyl-2-propan-2-yl-1H-benzimidazole;3-isocyano-6-methyl-2-propan-2-yl-1H-indole-5-carbonitrile;3-isocyano-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;3-methylidene-6-propan-2-yl-4H-chromene;3-methylidene-6-propan-2-yl-4H-chromene-8-carbonitrile;3-methylidene-6-propan-2-yl-4H-pyrano[3,2-b]pyridine;7-methylidene-2-propan-2-yl-8H-pyrano[3,2-d]pyrimidine;3-methylidene-6-propan-2-yl-4H-thiochromene;3-methylidene-6-propan-2-yl-4H-thiopyrano[2,3-b]pyridine;3-methylidene-6-propan-2-yl-4H-thiopyrano[3,2-b]pyridine;2-methyl-5-propan-2-ylpyridine-3-carbonitrile;6-methyl-2-propan-2-yl-5-(trifluoromethyl)-1H-benzimidazole?
The InChIKey is TWBBLQCTMOQGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3.C14H15NO.C13H13ClN2.C13H13FN2.C13H15FO.C13H12N4.C13H16O.C13H16S.C12H12ClN3.C12H13F3N2.C12H12FN3.C12H15NO.2C12H15NS.C11H13FN2.C11H14N2O.C10H12N2.C9H12ClN/c1-8(2)13-14(16-4)11-6-10(7-15)9(3)5-12(11)17-13;1-9(2)11-5-12-4-10(3)8-16-14(12)13(6-11)7-15;2*1-7(2)12-13(15-4)9-6-10(14)8(3)5-11(9)16-12;1-8(2)10-5-11-4-9(3)7-15-13(11)12(14)6-10;1-7(2)11-12(15-4)10-5-9(6-14)8(3)16-13(10)17-11;2*1-9(2)11-4-5-13-12(7-11)6-10(3)8-14-13;1-6(2)10-11(14-4)8-5-9(13)7(3)15-12(8)16-10;1-6(2)11-16-9-4-7(3)8(12(13,14)15)5-10(9)17-11;1-6(2)10-11(14-4)8-5-9(13)7(3)15-12(8)16-10;1-8(2)10-4-5-12-11(13-10)6-9(3)7-14-12;1-8(2)11-5-10-4-9(3)7-14-12(10)13-6-11;1-8(2)10-4-5-12-11(13-10)6-9(3)7-14-12;1-6(2)11-13-9-4-7(3)8(12)5-10(9)14-11;1-7(2)11-12-5-10-9(13-11)4-8(3)6-14-10;1-7(2)10-4-9(5-11)8(3)12-6-10;1-6(2)8-4-9(10)7(3)11-5-8/h5-6,8,17H,1-3H3;5-6,9H,3-4,8H2,1-2H3;2*5-7,16H,1-3H3;5-6,8H,3-4,7H2,1-2H3;5,7H,1-3H3,(H,16,17);2*4-5,7,9H,3,6,8H2,1-2H3;5-6H,1-3H3,(H,15,16);4-6H,1-3H3,(H,16,17);5-6H,1-3H3,(H,15,16);4-5,8H,3,6-7H2,1-2H3;5-6,8H,3-4,7H2,1-2H3;4-5,8H,3,6-7H2,1-2H3;4-6H,1-3H3,(H,13,14);5,7H,3-4,6H2,1-2H3;4,6-7H,1-3H3;4-6H,1-3H3.
What are the key properties of 5-chloro-3-isocyano-6-methyl-2-propan-2-yl-1H-indole;5-chloro-3-isocyano-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-chloro-2-methyl-5-propan-2-ylpyridine;5-fluoro-3-isocyano-6-methyl-2-propan-2-yl-1H-indole;5-fluoro-3-isocyano-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;8-fluoro-3-methylidene-6-propan-2-yl-4H-chromene;5-fluoro-6-methyl-2-propan-2-yl-1H-benzimidazole;3-isocyano-6-methyl-2-propan-2-yl-1H-indole-5-carbonitrile;3-isocyano-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;3-methylidene-6-propan-2-yl-4H-chromene;3-methylidene-6-propan-2-yl-4H-chromene-8-carbonitrile;3-methylidene-6-propan-2-yl-4H-pyrano[3,2-b]pyridine;7-methylidene-2-propan-2-yl-8H-pyrano[3,2-d]pyrimidine;3-methylidene-6-propan-2-yl-4H-thiochromene;3-methylidene-6-propan-2-yl-4H-thiopyrano[2,3-b]pyridine;3-methylidene-6-propan-2-yl-4H-thiopyrano[3,2-b]pyridine;2-methyl-5-propan-2-ylpyridine-3-carbonitrile;6-methyl-2-propan-2-yl-5-(trifluoromethyl)-1H-benzimidazole?
5-chloro-3-isocyano-6-methyl-2-propan-2-yl-1H-indole;5-chloro-3-isocyano-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-chloro-2-methyl-5-propan-2-ylpyridine;5-fluoro-3-isocyano-6-methyl-2-propan-2-yl-1H-indole;5-fluoro-3-isocyano-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;8-fluoro-3-methylidene-6-propan-2-yl-4H-chromene;5-fluoro-6-methyl-2-propan-2-yl-1H-benzimidazole;3-isocyano-6-methyl-2-propan-2-yl-1H-indole-5-carbonitrile;3-isocyano-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;3-methylidene-6-propan-2-yl-4H-chromene;3-methylidene-6-propan-2-yl-4H-chromene-8-carbonitrile;3-methylidene-6-propan-2-yl-4H-pyrano[3,2-b]pyridine;7-methylidene-2-propan-2-yl-8H-pyrano[3,2-d]pyrimidine;3-methylidene-6-propan-2-yl-4H-thiochromene;3-methylidene-6-propan-2-yl-4H-thiopyrano[2,3-b]pyridine;3-methylidene-6-propan-2-yl-4H-thiopyrano[3,2-b]pyridine;2-methyl-5-propan-2-ylpyridine-3-carbonitrile;6-methyl-2-propan-2-yl-5-(trifluoromethyl)-1H-benzimidazole has a molecular weight of 3714.13 g/mol, XLogP of 62.65, 18 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-isocyano-6-methyl-2-propan-2-yl-1H-indole;5-chloro-3-isocyano-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-chloro-2-methyl-5-propan-2-ylpyridine;5-fluoro-3-isocyano-6-methyl-2-propan-2-yl-1H-indole;5-fluoro-3-isocyano-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;8-fluoro-3-methylidene-6-propan-2-yl-4H-chromene;5-fluoro-6-methyl-2-propan-2-yl-1H-benzimidazole;3-isocyano-6-methyl-2-propan-2-yl-1H-indole-5-carbonitrile;3-isocyano-6-methyl-2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;3-methylidene-6-propan-2-yl-4H-chromene;3-methylidene-6-propan-2-yl-4H-chromene-8-carbonitrile;3-methylidene-6-propan-2-yl-4H-pyrano[3,2-b]pyridine;7-methylidene-2-propan-2-yl-8H-pyrano[3,2-d]pyrimidine;3-methylidene-6-propan-2-yl-4H-thiochromene;3-methylidene-6-propan-2-yl-4H-thiopyrano[2,3-b]pyridine;3-methylidene-6-propan-2-yl-4H-thiopyrano[3,2-b]pyridine;2-methyl-5-propan-2-ylpyridine-3-carbonitrile;6-methyl-2-propan-2-yl-5-(trifluoromethyl)-1H-benzimidazole is sourced from PubChem (CID 161002396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).