tert-butyl N-(4-methylbenzenecarboximidoyl)carbamate;4-ethylaniline;2-ethylpyridine;3-ethylpyridine;1-ethyl-2-(trifluoromethyl)benzene;1-ethyl-3-(trifluoromethyl)benzene;1-ethyl-4-(trifluoromethyl)benzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;6-methoxy-2-methyl-1,3-benzothiazole;4-methylbenzenecarboximidamide;N-(4-methylbenzenecarboximidoyl)acetamide;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;4-methyl-N'-phenacylbenzenecarboximidamide;3-methylphenol;2-(4-methylphenyl)-4,5-dihydro-1H-imidazole;(2-methylphenyl)methanol;2-methylpyridine;4-methylpyridine;1-methyl-3-(trifluoromethyl)benzene;1-methyl-4-(trifluoromethyl)benzene;toluene

C204H226F17N21O7S — CID 158065965

IUPACtert-butyl N-(4-methylbenzenecarboximidoyl)carbamate;4-ethylaniline;2-ethylpyridine;3-ethylpyridine;1-ethyl-2-(trifluoromethyl)benzene;1-ethyl-3-(trifluoromethyl)benzene;1-ethyl-4-(trifluoromethyl)benzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;6-methoxy-2-methyl-1,3-benzothiazole;4-methylbenzenecarboximidamide;N-(4-methylbenzenecarboximidoyl)acetamide;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;4-methyl-N'-phenacylbenzenecarboximidamide;3-methylphenol;2-(4-methylphenyl)-4,5-dihydro-1H-imidazole;(2-methylphenyl)methanol;2-methylpyridine;4-methylpyridine;1-methyl-3-(trifluoromethyl)benzene;1-methyl-4-(trifluoromethyl)benzene;toluene
SMILESCCc1ccc(C(F)(F)F)cc1.CCc1ccc(N)cc1.CCc1cccc(C(F)(F)F)c1.CCc1ccccc1C(F)(F)F.CCc1ccccn1.CCc1cccnc1.COc1ccc2nc(C)sc2c1.Cc1ccc(/C(N)=N/CC(=O)c2ccccc2)cc1.Cc1ccc(C(F)(F)F)cc1.Cc1ccc(C2=NCCN2)cc1.Cc1ccc2[nH]ccc2c1.Cc1ccc2[nH]ncc2c1.Cc1ccc2cn[nH]c2c1.Cc1cccc(C(F)(F)F)c1.Cc1cccc(F)c1.Cc1cccc(O)c1.Cc1ccccc1.Cc1ccccc1CO.Cc1ccccc1F.Cc1ccccn1.Cc1ccncc1.[H]/N=C(\N)c1ccc(C)cc1.[H]/N=C(\NC(=O)OC(C)(C)C)c1ccc(C)cc1.[H]/N=C(\NC(C)=O)c1ccc(C)cc1
InChIInChI=1S/C16H16N2O.C13H18N2O2.C10H12N2O.C10H12N2.3C9H9F3.C9H9NOS.C9H9N.2C8H7F3.2C8H8N2.C8H10N2.C8H11N.C8H10O.2C7H7F.2C7H9N.C7H8O.C7H8.2C6H7N/c1-12-7-9-14(10-8-12)16(17)18-11-15(19)13-5-3-2-4-6-13;1-9-5-7-10(8-6-9)11(14)15-12(16)17-13(2,3)4;1-7-3-5-9(6-4-7)10(11)12-8(2)13;1-8-2-4-9(5-3-8)10-11-6-7-12-10;1-2-7-3-5-8(6-4-7)9(10,11)12;1-2-7-4-3-5-8(6-7)9(10,11)12;1-2-7-5-3-4-6-8(7)9(10,11)12;1-6-10-8-4-3-7(11-2)5-9(8)12-6;1-7-2-3-9-8(6-7)4-5-10-9;1-6-2-4-7(5-3-6)8(9,10)11;1-6-3-2-4-7(5-6)8(9,10)11;1-6-2-3-8-7(4-6)5-9-10-8;1-6-2-3-7-5-9-10-8(7)4-6;1-6-2-4-7(5-3-6)8(9)10;1-2-7-3-5-8(9)6-4-7;1-7-4-2-3-5-8(7)6-9;1-6-3-2-4-7(8)5-6;1-6-4-2-3-5-7(6)8;1-2-7-4-3-5-8-6-7;1-2-7-5-3-4-6-8-7;1-6-3-2-4-7(8)5-6;1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;1-6-4-2-3-5-7-6/h2-10H,11H2,1H3,(H2,17,18);5-8H,1-4H3,(H2,14,15,16);3-6H,1-2H3,(H2,11,12,13);2-5H,6-7H2,1H3,(H,11,12);3*3-6H,2H2,1H3;3-5H,1-2H3;2-6,10H,1H3;2*2-5H,1H3;2*2-5H,1H3,(H,9,10);2-5H,1H3,(H3,9,10);3-6H,2,9H2,1H3;2-5,9H,6H2,1H3;2*2-5H,1H3;2*3-6H,2H2,1H3;2-5,8H,1H3;2-6H,1H3;2*2-5H,1H3
InChIKeyFLFMWNFGPSMNCK-UHFFFAOYSA-N
MW3439.22 g/mol
LogP51.52
Rot. Bonds16

About tert-butyl N-(4-methylbenzenecarboximidoyl)carbamate;4-ethylaniline;2-ethylpyridine;3-ethylpyridine;1-ethyl-2-(trifluoromethyl)benzene;1-ethyl-3-(trifluoromethyl)benzene;1-ethyl-4-(trifluoromethyl)benzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;6-methoxy-2-methyl-1,3-benzothiazole;4-methylbenzenecarboximidamide;N-(4-methylbenzenecarboximidoyl)acetamide;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;4-methyl-N'-phenacylbenzenecarboximidamide;3-methylphenol;2-(4-methylphenyl)-4,5-dihydro-1H-imidazole;(2-methylphenyl)methanol;2-methylpyridine;4-methylpyridine;1-methyl-3-(trifluoromethyl)benzene;1-methyl-4-(trifluoromethyl)benzene;toluene

tert-butyl N-(4-methylbenzenecarboximidoyl)carbamate;4-ethylaniline;2-ethylpyridine;3-ethylpyridine;1-ethyl-2-(trifluoromethyl)benzene;1-ethyl-3-(trifluoromethyl)benzene;1-ethyl-4-(trifluoromethyl)benzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;6-methoxy-2-methyl-1,3-benzothiazole;4-methylbenzenecarboximidamide;N-(4-methylbenzenecarboximidoyl)acetamide;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;4-methyl-N'-phenacylbenzenecarboximidamide;3-methylphenol;2-(4-methylphenyl)-4,5-dihydro-1H-imidazole;(2-methylphenyl)methanol;2-methylpyridine;4-methylpyridine;1-methyl-3-(trifluoromethyl)benzene;1-methyl-4-(trifluoromethyl)benzene;toluene (PubChem CID 158065965) has the molecular formula C204H226F17N21O7S and a molecular weight of 3439.22 g/mol. Its IUPAC name is tert-butyl N-(4-methylbenzenecarboximidoyl)carbamate;4-ethylaniline;2-ethylpyridine;3-ethylpyridine;1-ethyl-2-(trifluoromethyl)benzene;1-ethyl-3-(trifluoromethyl)benzene;1-ethyl-4-(trifluoromethyl)benzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;6-methoxy-2-methyl-1,3-benzothiazole;4-methylbenzenecarboximidamide;N-(4-methylbenzenecarboximidoyl)acetamide;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;4-methyl-N'-phenacylbenzenecarboximidamide;3-methylphenol;2-(4-methylphenyl)-4,5-dihydro-1H-imidazole;(2-methylphenyl)methanol;2-methylpyridine;4-methylpyridine;1-methyl-3-(trifluoromethyl)benzene;1-methyl-4-(trifluoromethyl)benzene;toluene.

Molecular Properties

Compound Nametert-butyl N-(4-methylbenzenecarboximidoyl)carbamate;4-ethylaniline;2-ethylpyridine;3-ethylpyridine;1-ethyl-2-(trifluoromethyl)benzene;1-ethyl-3-(trifluoromethyl)benzene;1-ethyl-4-(trifluoromethyl)benzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;6-methoxy-2-methyl-1,3-benzothiazole;4-methylbenzenecarboximidamide;N-(4-methylbenzenecarboximidoyl)acetamide;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;4-methyl-N'-phenacylbenzenecarboximidamide;3-methylphenol;2-(4-methylphenyl)-4,5-dihydro-1H-imidazole;(2-methylphenyl)methanol;2-methylpyridine;4-methylpyridine;1-methyl-3-(trifluoromethyl)benzene;1-methyl-4-(trifluoromethyl)benzene;toluene
PubChem CID158065965
Molecular FormulaC204H226F17N21O7S
Molecular Weight3439.22 g/mol
Exact Mass3436.74
IUPAC Nametert-butyl N-(4-methylbenzenecarboximidoyl)carbamate;4-ethylaniline;2-ethylpyridine;3-ethylpyridine;1-ethyl-2-(trifluoromethyl)benzene;1-ethyl-3-(trifluoromethyl)benzene;1-ethyl-4-(trifluoromethyl)benzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;6-methoxy-2-methyl-1,3-benzothiazole;4-methylbenzenecarboximidamide;N-(4-methylbenzenecarboximidoyl)acetamide;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;4-methyl-N'-phenacylbenzenecarboximidamide;3-methylphenol;2-(4-methylphenyl)-4,5-dihydro-1H-imidazole;(2-methylphenyl)methanol;2-methylpyridine;4-methylpyridine;1-methyl-3-(trifluoromethyl)benzene;1-methyl-4-(trifluoromethyl)benzene;toluene
SMILESCCc1ccc(C(F)(F)F)cc1.CCc1ccc(N)cc1.CCc1cccc(C(F)(F)F)c1.CCc1ccccc1C(F)(F)F.CCc1ccccn1.CCc1cccnc1.COc1ccc2nc(C)sc2c1.Cc1ccc(/C(N)=N/CC(=O)c2ccccc2)cc1.Cc1ccc(C(F)(F)F)cc1.Cc1ccc(C2=NCCN2)cc1.Cc1ccc2[nH]ccc2c1.Cc1ccc2[nH]ncc2c1.Cc1ccc2cn[nH]c2c1.Cc1cccc(C(F)(F)F)c1.Cc1cccc(F)c1.Cc1cccc(O)c1.Cc1ccccc1.Cc1ccccc1CO.Cc1ccccc1F.Cc1ccccn1.Cc1ccncc1.[H]/N=C(\N)c1ccc(C)cc1.[H]/N=C(\NC(=O)OC(C)(C)C)c1ccc(C)cc1.[H]/N=C(\NC(C)=O)c1ccc(C)cc1
InChIInChI=1S/C16H16N2O.C13H18N2O2.C10H12N2O.C10H12N2.3C9H9F3.C9H9NOS.C9H9N.2C8H7F3.2C8H8N2.C8H10N2.C8H11N.C8H10O.2C7H7F.2C7H9N.C7H8O.C7H8.2C6H7N/c1-12-7-9-14(10-8-12)16(17)18-11-15(19)13-5-3-2-4-6-13;1-9-5-7-10(8-6-9)11(14)15-12(16)17-13(2,3)4;1-7-3-5-9(6-4-7)10(11)12-8(2)13;1-8-2-4-9(5-3-8)10-11-6-7-12-10;1-2-7-3-5-8(6-4-7)9(10,11)12;1-2-7-4-3-5-8(6-7)9(10,11)12;1-2-7-5-3-4-6-8(7)9(10,11)12;1-6-10-8-4-3-7(11-2)5-9(8)12-6;1-7-2-3-9-8(6-7)4-5-10-9;1-6-2-4-7(5-3-6)8(9,10)11;1-6-3-2-4-7(5-6)8(9,10)11;1-6-2-3-8-7(4-6)5-9-10-8;1-6-2-3-7-5-9-10-8(7)4-6;1-6-2-4-7(5-3-6)8(9)10;1-2-7-3-5-8(9)6-4-7;1-7-4-2-3-5-8(7)6-9;1-6-3-2-4-7(8)5-6;1-6-4-2-3-5-7(6)8;1-2-7-4-3-5-8-6-7;1-2-7-5-3-4-6-8-7;1-6-3-2-4-7(8)5-6;1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;1-6-4-2-3-5-7-6/h2-10H,11H2,1H3,(H2,17,18);5-8H,1-4H3,(H2,14,15,16);3-6H,1-2H3,(H2,11,12,13);2-5H,6-7H2,1H3,(H,11,12);3*3-6H,2H2,1H3;3-5H,1-2H3;2-6,10H,1H3;2*2-5H,1H3;2*2-5H,1H3,(H,9,10);2-5H,1H3,(H3,9,10);3-6H,2,9H2,1H3;2-5,9H,6H2,1H3;2*2-5H,1H3;2*3-6H,2H2,1H3;2-5,8H,1H3;2-6H,1H3;2*2-5H,1H3
InChIKeyFLFMWNFGPSMNCK-UHFFFAOYSA-N
XLogP51.52
TPSA458.15 Ų
H-Bond Donors14
H-Bond Acceptors22
Rotatable Bonds16
Heavy Atoms250
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003439.22
LogP ≤ 551.52
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze tert-butyl N-(4-methylbenzenecarboximidoyl)carbamate;4-ethylaniline;2-ethylpyridine;3-ethylpyridine;1-ethyl-2-(trifluoromethyl)benzene;1-ethyl-3-(trifluoromethyl)benzene;1-ethyl-4-(trifluoromethyl)benzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;6-methoxy-2-methyl-1,3-benzothiazole;4-methylbenzenecarboximidamide;N-(4-methylbenzenecarboximidoyl)acetamide;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;4-methyl-N'-phenacylbenzenecarboximidamide;3-methylphenol;2-(4-methylphenyl)-4,5-dihydro-1H-imidazole;(2-methylphenyl)methanol;2-methylpyridine;4-methylpyridine;1-methyl-3-(trifluoromethyl)benzene;1-methyl-4-(trifluoromethyl)benzene;toluene with MolForge

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Related Compounds

1-[3-(1,3-benzothiazol-6-yl)-1H-isoindol-5-yl]-2-[(3R,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]ethanone;2-[(3R,5R)-5-(1,1-difluoroethyl)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]ethanone;2-[(3S,5S)-5-(1,1-difluoroethyl)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(hydroxymethyl)piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
CID 159009277
N-[(3R,6S)-6-(4-acetylpiperazine-1-carbonyl)-1-[[2-fluoro-6-(trideuteriomethoxy)phenyl]methyl]piperidin-3-yl]-3-(2-methyl-1,3-benzothiazol-6-yl)-1H-indazole-5-carboxamide;tert-butyl 4-[(2S,5R)-1-[[2-fluoro-6-(trideuteriomethoxy)phenyl]methyl]-5-[[3-(2-methyl-1,3-benzothiazol-6-yl)-1H-indazole-5-carbonyl]amino]piperidine-2-carbonyl]piperazine-1-carboxylate;(2S,5S)-N-(2,2-difluoropropyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-[2-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]-2-oxoethyl]piperidine-2-carboxamide;(2S,5S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-[2-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]-2-oxoethyl]-N-propylpiperidine-2-carboxamide
CID 159608900

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-methylbenzenecarboximidoyl)carbamate;4-ethylaniline;2-ethylpyridine;3-ethylpyridine;1-ethyl-2-(trifluoromethyl)benzene;1-ethyl-3-(trifluoromethyl)benzene;1-ethyl-4-(trifluoromethyl)benzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;6-methoxy-2-methyl-1,3-benzothiazole;4-methylbenzenecarboximidamide;N-(4-methylbenzenecarboximidoyl)acetamide;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;4-methyl-N'-phenacylbenzenecarboximidamide;3-methylphenol;2-(4-methylphenyl)-4,5-dihydro-1H-imidazole;(2-methylphenyl)methanol;2-methylpyridine;4-methylpyridine;1-methyl-3-(trifluoromethyl)benzene;1-methyl-4-(trifluoromethyl)benzene;toluene?
The IUPAC name of tert-butyl N-(4-methylbenzenecarboximidoyl)carbamate;4-ethylaniline;2-ethylpyridine;3-ethylpyridine;1-ethyl-2-(trifluoromethyl)benzene;1-ethyl-3-(trifluoromethyl)benzene;1-ethyl-4-(trifluoromethyl)benzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;6-methoxy-2-methyl-1,3-benzothiazole;4-methylbenzenecarboximidamide;N-(4-methylbenzenecarboximidoyl)acetamide;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;4-methyl-N'-phenacylbenzenecarboximidamide;3-methylphenol;2-(4-methylphenyl)-4,5-dihydro-1H-imidazole;(2-methylphenyl)methanol;2-methylpyridine;4-methylpyridine;1-methyl-3-(trifluoromethyl)benzene;1-methyl-4-(trifluoromethyl)benzene;toluene (CID 158065965) is tert-butyl N-(4-methylbenzenecarboximidoyl)carbamate;4-ethylaniline;2-ethylpyridine;3-ethylpyridine;1-ethyl-2-(trifluoromethyl)benzene;1-ethyl-3-(trifluoromethyl)benzene;1-ethyl-4-(trifluoromethyl)benzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;6-methoxy-2-methyl-1,3-benzothiazole;4-methylbenzenecarboximidamide;N-(4-methylbenzenecarboximidoyl)acetamide;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;4-methyl-N'-phenacylbenzenecarboximidamide;3-methylphenol;2-(4-methylphenyl)-4,5-dihydro-1H-imidazole;(2-methylphenyl)methanol;2-methylpyridine;4-methylpyridine;1-methyl-3-(trifluoromethyl)benzene;1-methyl-4-(trifluoromethyl)benzene;toluene.
What is the SMILES notation for tert-butyl N-(4-methylbenzenecarboximidoyl)carbamate;4-ethylaniline;2-ethylpyridine;3-ethylpyridine;1-ethyl-2-(trifluoromethyl)benzene;1-ethyl-3-(trifluoromethyl)benzene;1-ethyl-4-(trifluoromethyl)benzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;6-methoxy-2-methyl-1,3-benzothiazole;4-methylbenzenecarboximidamide;N-(4-methylbenzenecarboximidoyl)acetamide;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;4-methyl-N'-phenacylbenzenecarboximidamide;3-methylphenol;2-(4-methylphenyl)-4,5-dihydro-1H-imidazole;(2-methylphenyl)methanol;2-methylpyridine;4-methylpyridine;1-methyl-3-(trifluoromethyl)benzene;1-methyl-4-(trifluoromethyl)benzene;toluene?
The canonical SMILES for tert-butyl N-(4-methylbenzenecarboximidoyl)carbamate;4-ethylaniline;2-ethylpyridine;3-ethylpyridine;1-ethyl-2-(trifluoromethyl)benzene;1-ethyl-3-(trifluoromethyl)benzene;1-ethyl-4-(trifluoromethyl)benzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;6-methoxy-2-methyl-1,3-benzothiazole;4-methylbenzenecarboximidamide;N-(4-methylbenzenecarboximidoyl)acetamide;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;4-methyl-N'-phenacylbenzenecarboximidamide;3-methylphenol;2-(4-methylphenyl)-4,5-dihydro-1H-imidazole;(2-methylphenyl)methanol;2-methylpyridine;4-methylpyridine;1-methyl-3-(trifluoromethyl)benzene;1-methyl-4-(trifluoromethyl)benzene;toluene is CCc1ccc(C(F)(F)F)cc1.CCc1ccc(N)cc1.CCc1cccc(C(F)(F)F)c1.CCc1ccccc1C(F)(F)F.CCc1ccccn1.CCc1cccnc1.COc1ccc2nc(C)sc2c1.Cc1ccc(/C(N)=N/CC(=O)c2ccccc2)cc1.Cc1ccc(C(F)(F)F)cc1.Cc1ccc(C2=NCCN2)cc1.Cc1ccc2[nH]ccc2c1.Cc1ccc2[nH]ncc2c1.Cc1ccc2cn[nH]c2c1.Cc1cccc(C(F)(F)F)c1.Cc1cccc(F)c1.Cc1cccc(O)c1.Cc1ccccc1.Cc1ccccc1CO.Cc1ccccc1F.Cc1ccccn1.Cc1ccncc1.[H]/N=C(\N)c1ccc(C)cc1.[H]/N=C(\NC(=O)OC(C)(C)C)c1ccc(C)cc1.[H]/N=C(\NC(C)=O)c1ccc(C)cc1.
What is the InChIKey of tert-butyl N-(4-methylbenzenecarboximidoyl)carbamate;4-ethylaniline;2-ethylpyridine;3-ethylpyridine;1-ethyl-2-(trifluoromethyl)benzene;1-ethyl-3-(trifluoromethyl)benzene;1-ethyl-4-(trifluoromethyl)benzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;6-methoxy-2-methyl-1,3-benzothiazole;4-methylbenzenecarboximidamide;N-(4-methylbenzenecarboximidoyl)acetamide;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;4-methyl-N'-phenacylbenzenecarboximidamide;3-methylphenol;2-(4-methylphenyl)-4,5-dihydro-1H-imidazole;(2-methylphenyl)methanol;2-methylpyridine;4-methylpyridine;1-methyl-3-(trifluoromethyl)benzene;1-methyl-4-(trifluoromethyl)benzene;toluene?
The InChIKey is FLFMWNFGPSMNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O.C13H18N2O2.C10H12N2O.C10H12N2.3C9H9F3.C9H9NOS.C9H9N.2C8H7F3.2C8H8N2.C8H10N2.C8H11N.C8H10O.2C7H7F.2C7H9N.C7H8O.C7H8.2C6H7N/c1-12-7-9-14(10-8-12)16(17)18-11-15(19)13-5-3-2-4-6-13;1-9-5-7-10(8-6-9)11(14)15-12(16)17-13(2,3)4;1-7-3-5-9(6-4-7)10(11)12-8(2)13;1-8-2-4-9(5-3-8)10-11-6-7-12-10;1-2-7-3-5-8(6-4-7)9(10,11)12;1-2-7-4-3-5-8(6-7)9(10,11)12;1-2-7-5-3-4-6-8(7)9(10,11)12;1-6-10-8-4-3-7(11-2)5-9(8)12-6;1-7-2-3-9-8(6-7)4-5-10-9;1-6-2-4-7(5-3-6)8(9,10)11;1-6-3-2-4-7(5-6)8(9,10)11;1-6-2-3-8-7(4-6)5-9-10-8;1-6-2-3-7-5-9-10-8(7)4-6;1-6-2-4-7(5-3-6)8(9)10;1-2-7-3-5-8(9)6-4-7;1-7-4-2-3-5-8(7)6-9;1-6-3-2-4-7(8)5-6;1-6-4-2-3-5-7(6)8;1-2-7-4-3-5-8-6-7;1-2-7-5-3-4-6-8-7;1-6-3-2-4-7(8)5-6;1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;1-6-4-2-3-5-7-6/h2-10H,11H2,1H3,(H2,17,18);5-8H,1-4H3,(H2,14,15,16);3-6H,1-2H3,(H2,11,12,13);2-5H,6-7H2,1H3,(H,11,12);3*3-6H,2H2,1H3;3-5H,1-2H3;2-6,10H,1H3;2*2-5H,1H3;2*2-5H,1H3,(H,9,10);2-5H,1H3,(H3,9,10);3-6H,2,9H2,1H3;2-5,9H,6H2,1H3;2*2-5H,1H3;2*3-6H,2H2,1H3;2-5,8H,1H3;2-6H,1H3;2*2-5H,1H3.
What are the key properties of tert-butyl N-(4-methylbenzenecarboximidoyl)carbamate;4-ethylaniline;2-ethylpyridine;3-ethylpyridine;1-ethyl-2-(trifluoromethyl)benzene;1-ethyl-3-(trifluoromethyl)benzene;1-ethyl-4-(trifluoromethyl)benzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;6-methoxy-2-methyl-1,3-benzothiazole;4-methylbenzenecarboximidamide;N-(4-methylbenzenecarboximidoyl)acetamide;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;4-methyl-N'-phenacylbenzenecarboximidamide;3-methylphenol;2-(4-methylphenyl)-4,5-dihydro-1H-imidazole;(2-methylphenyl)methanol;2-methylpyridine;4-methylpyridine;1-methyl-3-(trifluoromethyl)benzene;1-methyl-4-(trifluoromethyl)benzene;toluene?
tert-butyl N-(4-methylbenzenecarboximidoyl)carbamate;4-ethylaniline;2-ethylpyridine;3-ethylpyridine;1-ethyl-2-(trifluoromethyl)benzene;1-ethyl-3-(trifluoromethyl)benzene;1-ethyl-4-(trifluoromethyl)benzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;6-methoxy-2-methyl-1,3-benzothiazole;4-methylbenzenecarboximidamide;N-(4-methylbenzenecarboximidoyl)acetamide;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;4-methyl-N'-phenacylbenzenecarboximidamide;3-methylphenol;2-(4-methylphenyl)-4,5-dihydro-1H-imidazole;(2-methylphenyl)methanol;2-methylpyridine;4-methylpyridine;1-methyl-3-(trifluoromethyl)benzene;1-methyl-4-(trifluoromethyl)benzene;toluene has a molecular weight of 3439.22 g/mol, XLogP of 51.52, 16 rotatable bonds, 14 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-methylbenzenecarboximidoyl)carbamate;4-ethylaniline;2-ethylpyridine;3-ethylpyridine;1-ethyl-2-(trifluoromethyl)benzene;1-ethyl-3-(trifluoromethyl)benzene;1-ethyl-4-(trifluoromethyl)benzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;6-methoxy-2-methyl-1,3-benzothiazole;4-methylbenzenecarboximidamide;N-(4-methylbenzenecarboximidoyl)acetamide;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;4-methyl-N'-phenacylbenzenecarboximidamide;3-methylphenol;2-(4-methylphenyl)-4,5-dihydro-1H-imidazole;(2-methylphenyl)methanol;2-methylpyridine;4-methylpyridine;1-methyl-3-(trifluoromethyl)benzene;1-methyl-4-(trifluoromethyl)benzene;toluene is sourced from PubChem (CID 158065965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).