N,3-dimethylbenzamide;1,5-dimethylbenzimidazol-2-amine;1,5-dimethylindol-2-amine;6-methyl-1H-benzimidazol-2-amine;2-methyl-1-benzofuran;5-methyl-1-benzofuran-2-amine;2-methyl-1-benzofuran-5-ol;5-methyl-1,3-benzothiazol-2-amine;5-methyl-1-benzothiophen-2-amine;2-methyl-1-benzothiophene;2-methyl-1-benzothiophen-5-ol;5-methyl-1,3-benzoxazol-2-amine;5-methyl-1H-indol-2-amine;2-methyl-1H-indole;2-methyl-1H-indol-5-ol;N-(3-methylphenyl)acetamide

C142H148N20O9S4 — CID 158266911

IUPACN,3-dimethylbenzamide;1,5-dimethylbenzimidazol-2-amine;1,5-dimethylindol-2-amine;6-methyl-1H-benzimidazol-2-amine;2-methyl-1-benzofuran;5-methyl-1-benzofuran-2-amine;2-methyl-1-benzofuran-5-ol;5-methyl-1,3-benzothiazol-2-amine;5-methyl-1-benzothiophen-2-amine;2-methyl-1-benzothiophene;2-methyl-1-benzothiophen-5-ol;5-methyl-1,3-benzoxazol-2-amine;5-methyl-1H-indol-2-amine;2-methyl-1H-indole;2-methyl-1H-indol-5-ol;N-(3-methylphenyl)acetamide
SMILESCC(=O)Nc1cccc(C)c1.CNC(=O)c1cccc(C)c1.Cc1cc2cc(O)ccc2[nH]1.Cc1cc2cc(O)ccc2o1.Cc1cc2cc(O)ccc2s1.Cc1cc2ccccc2[nH]1.Cc1cc2ccccc2o1.Cc1cc2ccccc2s1.Cc1ccc2[nH]c(N)cc2c1.Cc1ccc2c(c1)cc(N)n2C.Cc1ccc2c(c1)nc(N)n2C.Cc1ccc2nc(N)[nH]c2c1.Cc1ccc2oc(N)cc2c1.Cc1ccc2oc(N)nc2c1.Cc1ccc2sc(N)cc2c1.Cc1ccc2sc(N)nc2c1
InChIInChI=1S/C10H12N2.C9H11N3.C9H10N2.2C9H9NO.2C9H11NO.C9H9NS.C9H9N.C9H8O2.C9H8OS.C9H8O.C9H8S.C8H9N3.C8H8N2O.C8H8N2S/c1-7-3-4-9-8(5-7)6-10(11)12(9)2;1-6-3-4-8-7(5-6)11-9(10)12(8)2;1-6-2-3-8-7(4-6)5-9(10)11-8;1-6-4-7-5-8(11)2-3-9(7)10-6;1-6-2-3-8-7(4-6)5-9(10)11-8;1-7-4-3-5-8(6-7)9(11)10-2;1-7-4-3-5-9(6-7)10-8(2)11;1-6-2-3-8-7(4-6)5-9(10)11-8;1-7-6-8-4-2-3-5-9(8)10-7;2*1-6-4-7-5-8(10)2-3-9(7)11-6;2*1-7-6-8-4-2-3-5-9(8)10-7;1-5-2-3-6-7(4-5)11-8(9)10-6;2*1-5-2-3-7-6(4-5)10-8(9)11-7/h3-6H,11H2,1-2H3;3-5H,1-2H3,(H2,10,11);2-5,11H,10H2,1H3;2-5,10-11H,1H3;2-5H,10H2,1H3;2*3-6H,1-2H3,(H,10,11);2-5H,10H2,1H3;2-6,10H,1H3;2*2-5,10H,1H3;2*2-6H,1H3;2-4H,1H3,(H3,9,10,11);2*2-4H,1H3,(H2,9,10)
InChIKeyGIOGRUMZZQSNNP-UHFFFAOYSA-N
MW2407.14 g/mol
LogP35.34
Rot. Bonds2

About N,3-dimethylbenzamide;1,5-dimethylbenzimidazol-2-amine;1,5-dimethylindol-2-amine;6-methyl-1H-benzimidazol-2-amine;2-methyl-1-benzofuran;5-methyl-1-benzofuran-2-amine;2-methyl-1-benzofuran-5-ol;5-methyl-1,3-benzothiazol-2-amine;5-methyl-1-benzothiophen-2-amine;2-methyl-1-benzothiophene;2-methyl-1-benzothiophen-5-ol;5-methyl-1,3-benzoxazol-2-amine;5-methyl-1H-indol-2-amine;2-methyl-1H-indole;2-methyl-1H-indol-5-ol;N-(3-methylphenyl)acetamide

N,3-dimethylbenzamide;1,5-dimethylbenzimidazol-2-amine;1,5-dimethylindol-2-amine;6-methyl-1H-benzimidazol-2-amine;2-methyl-1-benzofuran;5-methyl-1-benzofuran-2-amine;2-methyl-1-benzofuran-5-ol;5-methyl-1,3-benzothiazol-2-amine;5-methyl-1-benzothiophen-2-amine;2-methyl-1-benzothiophene;2-methyl-1-benzothiophen-5-ol;5-methyl-1,3-benzoxazol-2-amine;5-methyl-1H-indol-2-amine;2-methyl-1H-indole;2-methyl-1H-indol-5-ol;N-(3-methylphenyl)acetamide (PubChem CID 158266911) has the molecular formula C142H148N20O9S4 and a molecular weight of 2407.14 g/mol. Its IUPAC name is N,3-dimethylbenzamide;1,5-dimethylbenzimidazol-2-amine;1,5-dimethylindol-2-amine;6-methyl-1H-benzimidazol-2-amine;2-methyl-1-benzofuran;5-methyl-1-benzofuran-2-amine;2-methyl-1-benzofuran-5-ol;5-methyl-1,3-benzothiazol-2-amine;5-methyl-1-benzothiophen-2-amine;2-methyl-1-benzothiophene;2-methyl-1-benzothiophen-5-ol;5-methyl-1,3-benzoxazol-2-amine;5-methyl-1H-indol-2-amine;2-methyl-1H-indole;2-methyl-1H-indol-5-ol;N-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN,3-dimethylbenzamide;1,5-dimethylbenzimidazol-2-amine;1,5-dimethylindol-2-amine;6-methyl-1H-benzimidazol-2-amine;2-methyl-1-benzofuran;5-methyl-1-benzofuran-2-amine;2-methyl-1-benzofuran-5-ol;5-methyl-1,3-benzothiazol-2-amine;5-methyl-1-benzothiophen-2-amine;2-methyl-1-benzothiophene;2-methyl-1-benzothiophen-5-ol;5-methyl-1,3-benzoxazol-2-amine;5-methyl-1H-indol-2-amine;2-methyl-1H-indole;2-methyl-1H-indol-5-ol;N-(3-methylphenyl)acetamide
PubChem CID158266911
Molecular FormulaC142H148N20O9S4
Molecular Weight2407.14 g/mol
Exact Mass2405.06
IUPAC NameN,3-dimethylbenzamide;1,5-dimethylbenzimidazol-2-amine;1,5-dimethylindol-2-amine;6-methyl-1H-benzimidazol-2-amine;2-methyl-1-benzofuran;5-methyl-1-benzofuran-2-amine;2-methyl-1-benzofuran-5-ol;5-methyl-1,3-benzothiazol-2-amine;5-methyl-1-benzothiophen-2-amine;2-methyl-1-benzothiophene;2-methyl-1-benzothiophen-5-ol;5-methyl-1,3-benzoxazol-2-amine;5-methyl-1H-indol-2-amine;2-methyl-1H-indole;2-methyl-1H-indol-5-ol;N-(3-methylphenyl)acetamide
SMILESCC(=O)Nc1cccc(C)c1.CNC(=O)c1cccc(C)c1.Cc1cc2cc(O)ccc2[nH]1.Cc1cc2cc(O)ccc2o1.Cc1cc2cc(O)ccc2s1.Cc1cc2ccccc2[nH]1.Cc1cc2ccccc2o1.Cc1cc2ccccc2s1.Cc1ccc2[nH]c(N)cc2c1.Cc1ccc2c(c1)cc(N)n2C.Cc1ccc2c(c1)nc(N)n2C.Cc1ccc2nc(N)[nH]c2c1.Cc1ccc2oc(N)cc2c1.Cc1ccc2oc(N)nc2c1.Cc1ccc2sc(N)cc2c1.Cc1ccc2sc(N)nc2c1
InChIInChI=1S/C10H12N2.C9H11N3.C9H10N2.2C9H9NO.2C9H11NO.C9H9NS.C9H9N.C9H8O2.C9H8OS.C9H8O.C9H8S.C8H9N3.C8H8N2O.C8H8N2S/c1-7-3-4-9-8(5-7)6-10(11)12(9)2;1-6-3-4-8-7(5-6)11-9(10)12(8)2;1-6-2-3-8-7(4-6)5-9(10)11-8;1-6-4-7-5-8(11)2-3-9(7)10-6;1-6-2-3-8-7(4-6)5-9(10)11-8;1-7-4-3-5-8(6-7)9(11)10-2;1-7-4-3-5-9(6-7)10-8(2)11;1-6-2-3-8-7(4-6)5-9(10)11-8;1-7-6-8-4-2-3-5-9(8)10-7;2*1-6-4-7-5-8(10)2-3-9(7)11-6;2*1-7-6-8-4-2-3-5-9(8)10-7;1-5-2-3-6-7(4-5)11-8(9)10-6;2*1-5-2-3-7-6(4-5)10-8(9)11-7/h3-6H,11H2,1-2H3;3-5H,1-2H3,(H2,10,11);2-5,11H,10H2,1H3;2-5,10-11H,1H3;2-5H,10H2,1H3;2*3-6H,1-2H3,(H,10,11);2-5H,10H2,1H3;2-6,10H,1H3;2*2-5,10H,1H3;2*2-6H,1H3;2-4H,1H3,(H3,9,10,11);2*2-4H,1H3,(H2,9,10)
InChIKeyGIOGRUMZZQSNNP-UHFFFAOYSA-N
XLogP35.34
TPSA504.19 Ų
H-Bond Donors17
H-Bond Acceptors27
Rotatable Bonds2
Heavy Atoms175
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002407.14
LogP ≤ 535.34
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1027

Analyze N,3-dimethylbenzamide;1,5-dimethylbenzimidazol-2-amine;1,5-dimethylindol-2-amine;6-methyl-1H-benzimidazol-2-amine;2-methyl-1-benzofuran;5-methyl-1-benzofuran-2-amine;2-methyl-1-benzofuran-5-ol;5-methyl-1,3-benzothiazol-2-amine;5-methyl-1-benzothiophen-2-amine;2-methyl-1-benzothiophene;2-methyl-1-benzothiophen-5-ol;5-methyl-1,3-benzoxazol-2-amine;5-methyl-1H-indol-2-amine;2-methyl-1H-indole;2-methyl-1H-indol-5-ol;N-(3-methylphenyl)acetamide with MolForge

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Related Compounds

N,3-dimethylbenzamide;1,5-dimethylbenzimidazol-2-amine;1,5-dimethylindol-2-amine;1,3-dimethyl-5-(trifluoromethyl)benzene;6-methyl-1H-benzimidazol-2-amine;2-methyl-1H-benzimidazole;2-methyl-1-benzofuran;3-methyl-1-benzofuran;5-methyl-1-benzofuran-2-amine;2-methyl-1-benzofuran-5-ol;5-methyl-1,3-benzothiazol-2-amine;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;5-methyl-1-benzothiophen-2-amine;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;2-methyl-1-benzothiophen-5-ol;5-methyl-1,3-benzoxazol-2-amine;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;3-methyl-2H-indazole;2-methyl-1H-indole;3-methyl-1H-indole;2-methyl-1H-indol-5-ol;N-(3-methylphenyl)acetamide
CID 158727015
N,3-dimethylbenzamide;1,5-dimethylbenzimidazol-2-amine;1,5-dimethylindol-2-amine;1,3-dimethyl-5-(trifluoromethyl)benzene;6-methyl-1H-benzimidazol-2-amine;2-methyl-1H-benzimidazole;2-methyl-1-benzofuran;3-methyl-1-benzofuran;5-methyl-1-benzofuran-2-amine;2-methyl-1-benzofuran-5-ol;5-methyl-1,3-benzothiazol-2-amine;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;5-methyl-1-benzothiophen-2-amine;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;2-methyl-1-benzothiophen-5-ol;5-methyl-1,3-benzoxazol-2-amine;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;3-methyl-2H-indazole;5-methyl-1H-indol-2-amine;2-methyl-1H-indole;3-methyl-1H-indole;2-methyl-1H-indol-5-ol;N-(3-methylphenyl)acetamide
CID 164090390
4-(1H-benzimidazol-2-yl)-6-(1-benzofuran-2-yl)-2-(1,3-benzothiazol-2-yl)-5-(1-benzothiophen-2-yl)-1,3-benzoxazole
CID 141050981
8-[2-([1]Benzofuro[3,2-b]carbazol-11-yl)-1,3-benzothiazol-5-yl]-11-[5-[11-(1-methylbenzimidazol-2-yl)-[1]benzofuro[3,2-b]carbazol-8-yl]-1,3-benzoxazol-2-yl]-[1]benzofuro[3,2-b]carbazole
CID 146407252
N,3-dimethylbenzamide;1,5-dimethylbenzimidazol-2-amine;1,5-dimethylindol-2-amine;6-methyl-1H-benzimidazol-2-amine;2-methyl-1H-benzimidazole;2-methyl-1-benzofuran;3-methyl-1-benzofuran;5-methyl-1-benzofuran-2-amine;2-methyl-1-benzofuran-5-ol;5-methyl-1,3-benzothiazol-2-amine;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;5-methyl-1-benzothiophen-2-amine;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;2-methyl-1-benzothiophen-5-ol;5-methyl-1,3-benzoxazol-2-amine;2-methyl-1,3-benzoxazole;5-methyl-1H-indol-2-amine;2-methyl-1H-indole;3-methyl-1H-indole;2-methyl-1H-indol-5-ol;N-(3-methylphenyl)acetamide
CID 157289274
2,6-ditert-butyl-1H-benzimidazole;2,6-ditert-butyl-1-benzofuran;2,5-ditert-butyl-1,3-benzothiazole;2,5-ditert-butyl-1,3-benzoxazole;2,5-ditert-butyl-1H-indene;3,5-ditert-butyl-1H-indene;3,6-ditert-butyl-1H-indene;2-(2,6-ditert-butylindol-1-yl)-N,N-dimethylethanamine;2,6-ditert-butyl-1-methyl-2,3-dihydroindole;2,6-ditert-butyl-1-methylindole
CID 157306902
40,44-Dimethoxy-39,41-dimethyl-38,43-dithia-2,10,20,28,39,41-hexazaundecacyclo[27.7.1.13,36.14,8.19,12.111,15.118,21.122,26.127,30.033,37.019,42]tetratetraconta-1(36),2,4(44),5,7,9,11,13,15(42),16,18,20,22,24,26(40),27,29,31,33(37),34-icosaene;6,13,17,24,31,35-hexatert-butyl-38,41-dioxa-2,10,20,28,39-pentazaundecacyclo[27.7.1.13,36.14,8.19,12.111,15.118,21.122,26.127,30.033,37.019,42]tetratetraconta-1(36),2,4,6,8(44),9,11(42),12,14,16,18,20,22,24,26(40),27,29(37),30,32,34-icosaene-40,44-diol;6,13,17,24,31,35-hexamethyl-38,41-dithia-2,10,20,28,39-pentazaundecacyclo[27.7.1.13,36.14,8.19,12.111,15.118,21.122,26.127,30.033,37.019,42]tetratetraconta-1(36),2,4,6,8(44),9,11,13,15(42),16,18,20,22,24,26(40),27,29,31,33(37),34-icosaene-40,44-diol;methane
CID 157618290
2,7-di(propan-2-yl)-3,8-dihydropyrrolo[2,3-e]benzimidazole;2,7-di(propan-2-yl)-1,8-dihydropyrrolo[3,2-g]indole;2,7-di(propan-2-yl)-8H-furo[3,2-g]indole;2,7-di(propan-2-yl)-8H-pyrrolo[3,2-g][1,3]benzothiazole;2,7-di(propan-2-yl)-8H-pyrrolo[3,2-g][1,3]benzoxazole;2,7-di(propan-2-yl)-8H-thieno[3,2-g]indole;1-methyl-2,7-di(propan-2-yl)-8H-pyrrolo[2,3-e]benzimidazole;1-methyl-2,7-di(propan-2-yl)-8H-pyrrolo[3,2-g]indole
CID 157938493
6,17-Bis(4-methylphenyl)-5,18-dithia-7,16-diazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17-bis(4-methylphenyl)-5,18-dithiapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17-dimethyl-5,18-dioxa-7,16-diazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17-dimethyl-5-oxa-18-thiapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;5,6,17,18-tetramethyl-5,7,16,18-tetrazapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene;6,17,18-trimethyl-5-thia-18-azapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene
CID 158088243
bis(4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(1,3-benzothiazol-2-yl)thiophene-3-carboxylic acid);4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(1,3-benzothiazol-5-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-[1-(difluoromethyl)benzimidazol-2-yl]thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(1H-indol-3-yl)thiophene-3-carboxylic acid;4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(1-methylindol-5-yl)thiophene-3-carboxylic acid;2-(1-benzothiophen-2-yl)-4-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-imidazo[1,2-a]pyridin-6-ylthiophene-3-carboxylic acid
CID 158110204
4,14-dimethyl-5,13-dioxa-3,15-diazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),3,7,10,12(16),14-heptaene;4,14-dimethyl-5,13-dithia-3,15-diazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),3,7,10,12(16),14-heptaene;4,14-dimethyl-3,5,15-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),3,7,10,12(16),14-heptaene;3-methyl-N-(3-methyl-2H-isoindol-1-yl)isoindol-1-imine
CID 158208379
2,6-ditert-butyl-1H-benzimidazole;2,6-ditert-butyl-1-benzofuran;2,5-ditert-butyl-1,3-benzothiazole;2,6-ditert-butyl-1-benzothiophene;2,5-ditert-butyl-1,3-benzoxazole;3,5-ditert-butyl-1H-indene;3,6-ditert-butyl-1H-indene;2,6-ditert-butyl-1-methylbenzimidazole
CID 158632445

Frequently Asked Questions

What is the IUPAC name of N,3-dimethylbenzamide;1,5-dimethylbenzimidazol-2-amine;1,5-dimethylindol-2-amine;6-methyl-1H-benzimidazol-2-amine;2-methyl-1-benzofuran;5-methyl-1-benzofuran-2-amine;2-methyl-1-benzofuran-5-ol;5-methyl-1,3-benzothiazol-2-amine;5-methyl-1-benzothiophen-2-amine;2-methyl-1-benzothiophene;2-methyl-1-benzothiophen-5-ol;5-methyl-1,3-benzoxazol-2-amine;5-methyl-1H-indol-2-amine;2-methyl-1H-indole;2-methyl-1H-indol-5-ol;N-(3-methylphenyl)acetamide?
The IUPAC name of N,3-dimethylbenzamide;1,5-dimethylbenzimidazol-2-amine;1,5-dimethylindol-2-amine;6-methyl-1H-benzimidazol-2-amine;2-methyl-1-benzofuran;5-methyl-1-benzofuran-2-amine;2-methyl-1-benzofuran-5-ol;5-methyl-1,3-benzothiazol-2-amine;5-methyl-1-benzothiophen-2-amine;2-methyl-1-benzothiophene;2-methyl-1-benzothiophen-5-ol;5-methyl-1,3-benzoxazol-2-amine;5-methyl-1H-indol-2-amine;2-methyl-1H-indole;2-methyl-1H-indol-5-ol;N-(3-methylphenyl)acetamide (CID 158266911) is N,3-dimethylbenzamide;1,5-dimethylbenzimidazol-2-amine;1,5-dimethylindol-2-amine;6-methyl-1H-benzimidazol-2-amine;2-methyl-1-benzofuran;5-methyl-1-benzofuran-2-amine;2-methyl-1-benzofuran-5-ol;5-methyl-1,3-benzothiazol-2-amine;5-methyl-1-benzothiophen-2-amine;2-methyl-1-benzothiophene;2-methyl-1-benzothiophen-5-ol;5-methyl-1,3-benzoxazol-2-amine;5-methyl-1H-indol-2-amine;2-methyl-1H-indole;2-methyl-1H-indol-5-ol;N-(3-methylphenyl)acetamide.
What is the SMILES notation for N,3-dimethylbenzamide;1,5-dimethylbenzimidazol-2-amine;1,5-dimethylindol-2-amine;6-methyl-1H-benzimidazol-2-amine;2-methyl-1-benzofuran;5-methyl-1-benzofuran-2-amine;2-methyl-1-benzofuran-5-ol;5-methyl-1,3-benzothiazol-2-amine;5-methyl-1-benzothiophen-2-amine;2-methyl-1-benzothiophene;2-methyl-1-benzothiophen-5-ol;5-methyl-1,3-benzoxazol-2-amine;5-methyl-1H-indol-2-amine;2-methyl-1H-indole;2-methyl-1H-indol-5-ol;N-(3-methylphenyl)acetamide?
The canonical SMILES for N,3-dimethylbenzamide;1,5-dimethylbenzimidazol-2-amine;1,5-dimethylindol-2-amine;6-methyl-1H-benzimidazol-2-amine;2-methyl-1-benzofuran;5-methyl-1-benzofuran-2-amine;2-methyl-1-benzofuran-5-ol;5-methyl-1,3-benzothiazol-2-amine;5-methyl-1-benzothiophen-2-amine;2-methyl-1-benzothiophene;2-methyl-1-benzothiophen-5-ol;5-methyl-1,3-benzoxazol-2-amine;5-methyl-1H-indol-2-amine;2-methyl-1H-indole;2-methyl-1H-indol-5-ol;N-(3-methylphenyl)acetamide is CC(=O)Nc1cccc(C)c1.CNC(=O)c1cccc(C)c1.Cc1cc2cc(O)ccc2[nH]1.Cc1cc2cc(O)ccc2o1.Cc1cc2cc(O)ccc2s1.Cc1cc2ccccc2[nH]1.Cc1cc2ccccc2o1.Cc1cc2ccccc2s1.Cc1ccc2[nH]c(N)cc2c1.Cc1ccc2c(c1)cc(N)n2C.Cc1ccc2c(c1)nc(N)n2C.Cc1ccc2nc(N)[nH]c2c1.Cc1ccc2oc(N)cc2c1.Cc1ccc2oc(N)nc2c1.Cc1ccc2sc(N)cc2c1.Cc1ccc2sc(N)nc2c1.
What is the InChIKey of N,3-dimethylbenzamide;1,5-dimethylbenzimidazol-2-amine;1,5-dimethylindol-2-amine;6-methyl-1H-benzimidazol-2-amine;2-methyl-1-benzofuran;5-methyl-1-benzofuran-2-amine;2-methyl-1-benzofuran-5-ol;5-methyl-1,3-benzothiazol-2-amine;5-methyl-1-benzothiophen-2-amine;2-methyl-1-benzothiophene;2-methyl-1-benzothiophen-5-ol;5-methyl-1,3-benzoxazol-2-amine;5-methyl-1H-indol-2-amine;2-methyl-1H-indole;2-methyl-1H-indol-5-ol;N-(3-methylphenyl)acetamide?
The InChIKey is GIOGRUMZZQSNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2.C9H11N3.C9H10N2.2C9H9NO.2C9H11NO.C9H9NS.C9H9N.C9H8O2.C9H8OS.C9H8O.C9H8S.C8H9N3.C8H8N2O.C8H8N2S/c1-7-3-4-9-8(5-7)6-10(11)12(9)2;1-6-3-4-8-7(5-6)11-9(10)12(8)2;1-6-2-3-8-7(4-6)5-9(10)11-8;1-6-4-7-5-8(11)2-3-9(7)10-6;1-6-2-3-8-7(4-6)5-9(10)11-8;1-7-4-3-5-8(6-7)9(11)10-2;1-7-4-3-5-9(6-7)10-8(2)11;1-6-2-3-8-7(4-6)5-9(10)11-8;1-7-6-8-4-2-3-5-9(8)10-7;2*1-6-4-7-5-8(10)2-3-9(7)11-6;2*1-7-6-8-4-2-3-5-9(8)10-7;1-5-2-3-6-7(4-5)11-8(9)10-6;2*1-5-2-3-7-6(4-5)10-8(9)11-7/h3-6H,11H2,1-2H3;3-5H,1-2H3,(H2,10,11);2-5,11H,10H2,1H3;2-5,10-11H,1H3;2-5H,10H2,1H3;2*3-6H,1-2H3,(H,10,11);2-5H,10H2,1H3;2-6,10H,1H3;2*2-5,10H,1H3;2*2-6H,1H3;2-4H,1H3,(H3,9,10,11);2*2-4H,1H3,(H2,9,10).
What are the key properties of N,3-dimethylbenzamide;1,5-dimethylbenzimidazol-2-amine;1,5-dimethylindol-2-amine;6-methyl-1H-benzimidazol-2-amine;2-methyl-1-benzofuran;5-methyl-1-benzofuran-2-amine;2-methyl-1-benzofuran-5-ol;5-methyl-1,3-benzothiazol-2-amine;5-methyl-1-benzothiophen-2-amine;2-methyl-1-benzothiophene;2-methyl-1-benzothiophen-5-ol;5-methyl-1,3-benzoxazol-2-amine;5-methyl-1H-indol-2-amine;2-methyl-1H-indole;2-methyl-1H-indol-5-ol;N-(3-methylphenyl)acetamide?
N,3-dimethylbenzamide;1,5-dimethylbenzimidazol-2-amine;1,5-dimethylindol-2-amine;6-methyl-1H-benzimidazol-2-amine;2-methyl-1-benzofuran;5-methyl-1-benzofuran-2-amine;2-methyl-1-benzofuran-5-ol;5-methyl-1,3-benzothiazol-2-amine;5-methyl-1-benzothiophen-2-amine;2-methyl-1-benzothiophene;2-methyl-1-benzothiophen-5-ol;5-methyl-1,3-benzoxazol-2-amine;5-methyl-1H-indol-2-amine;2-methyl-1H-indole;2-methyl-1H-indol-5-ol;N-(3-methylphenyl)acetamide has a molecular weight of 2407.14 g/mol, XLogP of 35.34, 2 rotatable bonds, 17 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethylbenzamide;1,5-dimethylbenzimidazol-2-amine;1,5-dimethylindol-2-amine;6-methyl-1H-benzimidazol-2-amine;2-methyl-1-benzofuran;5-methyl-1-benzofuran-2-amine;2-methyl-1-benzofuran-5-ol;5-methyl-1,3-benzothiazol-2-amine;5-methyl-1-benzothiophen-2-amine;2-methyl-1-benzothiophene;2-methyl-1-benzothiophen-5-ol;5-methyl-1,3-benzoxazol-2-amine;5-methyl-1H-indol-2-amine;2-methyl-1H-indole;2-methyl-1H-indol-5-ol;N-(3-methylphenyl)acetamide is sourced from PubChem (CID 158266911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).