1-[6-(methylamino)-1H-benzimidazol-2-yl]ethanone;1-[5-(methylamino)-1-benzofuran-2-yl]ethanone;1-[5-(methylamino)-1-benzothiophen-2-yl]ethanone;1-[6-(methylamino)-1,3-benzoxazol-2-yl]ethanone;1-[5-(methylamino)-1H-indol-2-yl]ethanone;1-[3-(methylamino)phenyl]ethanone;1-[4-(methylamino)phenyl]ethanone;1-[2-(methylamino)-1,3-thiazol-4-yl]ethanone;1-[4-(methylamino)thiophen-2-yl]ethanone;1-[1-methyl-4-(methylamino)imidazol-2-yl]ethanone;1-[1-methyl-4-(methylamino)pyrrol-2-yl]ethanone

C99H117N19O13S3 — CID 158358001

IUPAC1-[6-(methylamino)-1H-benzimidazol-2-yl]ethanone;1-[5-(methylamino)-1-benzofuran-2-yl]ethanone;1-[5-(methylamino)-1-benzothiophen-2-yl]ethanone;1-[6-(methylamino)-1,3-benzoxazol-2-yl]ethanone;1-[5-(methylamino)-1H-indol-2-yl]ethanone;1-[3-(methylamino)phenyl]ethanone;1-[4-(methylamino)phenyl]ethanone;1-[2-(methylamino)-1,3-thiazol-4-yl]ethanone;1-[4-(methylamino)thiophen-2-yl]ethanone;1-[1-methyl-4-(methylamino)imidazol-2-yl]ethanone;1-[1-methyl-4-(methylamino)pyrrol-2-yl]ethanone
SMILESCNc1cc(C(C)=O)n(C)c1.CNc1ccc(C(C)=O)cc1.CNc1ccc2[nH]c(C(C)=O)cc2c1.CNc1ccc2nc(C(C)=O)[nH]c2c1.CNc1ccc2nc(C(C)=O)oc2c1.CNc1ccc2oc(C(C)=O)cc2c1.CNc1ccc2sc(C(C)=O)cc2c1.CNc1cccc(C(C)=O)c1.CNc1cn(C)c(C(C)=O)n1.CNc1csc(C(C)=O)c1.CNc1nc(C(C)=O)cs1
InChIInChI=1S/C11H12N2O.C11H11NO2.C11H11NOS.C10H11N3O.C10H10N2O2.2C9H11NO.C8H12N2O.C7H11N3O.C7H9NOS.C6H8N2OS/c1-7(14)11-6-8-5-9(12-2)3-4-10(8)13-11;2*1-7(13)11-6-8-5-9(12-2)3-4-10(8)14-11;1-6(14)10-12-8-4-3-7(11-2)5-9(8)13-10;1-6(13)10-12-8-4-3-7(11-2)5-9(8)14-10;1-7(11)8-3-5-9(10-2)6-4-8;1-7(11)8-4-3-5-9(6-8)10-2;1-6(11)8-4-7(9-2)5-10(8)3;1-5(11)7-9-6(8-2)4-10(7)3;1-5(9)7-3-6(8-2)4-10-7;1-4(9)5-3-10-6(7-2)8-5/h3-6,12-13H,1-2H3;2*3-6,12H,1-2H3;3-5,11H,1-2H3,(H,12,13);3-5,11H,1-2H3;2*3-6,10H,1-2H3;4-5,9H,1-3H3;4,8H,1-3H3;3-4,8H,1-2H3;3H,1-2H3,(H,7,8)
InChIKeyGTCQSNVIAIOJBA-UHFFFAOYSA-N
MW1877.35 g/mol
LogP21.29
Rot. Bonds22

About 1-[6-(methylamino)-1H-benzimidazol-2-yl]ethanone;1-[5-(methylamino)-1-benzofuran-2-yl]ethanone;1-[5-(methylamino)-1-benzothiophen-2-yl]ethanone;1-[6-(methylamino)-1,3-benzoxazol-2-yl]ethanone;1-[5-(methylamino)-1H-indol-2-yl]ethanone;1-[3-(methylamino)phenyl]ethanone;1-[4-(methylamino)phenyl]ethanone;1-[2-(methylamino)-1,3-thiazol-4-yl]ethanone;1-[4-(methylamino)thiophen-2-yl]ethanone;1-[1-methyl-4-(methylamino)imidazol-2-yl]ethanone;1-[1-methyl-4-(methylamino)pyrrol-2-yl]ethanone

1-[6-(methylamino)-1H-benzimidazol-2-yl]ethanone;1-[5-(methylamino)-1-benzofuran-2-yl]ethanone;1-[5-(methylamino)-1-benzothiophen-2-yl]ethanone;1-[6-(methylamino)-1,3-benzoxazol-2-yl]ethanone;1-[5-(methylamino)-1H-indol-2-yl]ethanone;1-[3-(methylamino)phenyl]ethanone;1-[4-(methylamino)phenyl]ethanone;1-[2-(methylamino)-1,3-thiazol-4-yl]ethanone;1-[4-(methylamino)thiophen-2-yl]ethanone;1-[1-methyl-4-(methylamino)imidazol-2-yl]ethanone;1-[1-methyl-4-(methylamino)pyrrol-2-yl]ethanone (PubChem CID 158358001) has the molecular formula C99H117N19O13S3 and a molecular weight of 1877.35 g/mol. Its IUPAC name is 1-[6-(methylamino)-1H-benzimidazol-2-yl]ethanone;1-[5-(methylamino)-1-benzofuran-2-yl]ethanone;1-[5-(methylamino)-1-benzothiophen-2-yl]ethanone;1-[6-(methylamino)-1,3-benzoxazol-2-yl]ethanone;1-[5-(methylamino)-1H-indol-2-yl]ethanone;1-[3-(methylamino)phenyl]ethanone;1-[4-(methylamino)phenyl]ethanone;1-[2-(methylamino)-1,3-thiazol-4-yl]ethanone;1-[4-(methylamino)thiophen-2-yl]ethanone;1-[1-methyl-4-(methylamino)imidazol-2-yl]ethanone;1-[1-methyl-4-(methylamino)pyrrol-2-yl]ethanone.

Molecular Properties

Compound Name1-[6-(methylamino)-1H-benzimidazol-2-yl]ethanone;1-[5-(methylamino)-1-benzofuran-2-yl]ethanone;1-[5-(methylamino)-1-benzothiophen-2-yl]ethanone;1-[6-(methylamino)-1,3-benzoxazol-2-yl]ethanone;1-[5-(methylamino)-1H-indol-2-yl]ethanone;1-[3-(methylamino)phenyl]ethanone;1-[4-(methylamino)phenyl]ethanone;1-[2-(methylamino)-1,3-thiazol-4-yl]ethanone;1-[4-(methylamino)thiophen-2-yl]ethanone;1-[1-methyl-4-(methylamino)imidazol-2-yl]ethanone;1-[1-methyl-4-(methylamino)pyrrol-2-yl]ethanone
PubChem CID158358001
Molecular FormulaC99H117N19O13S3
Molecular Weight1877.35 g/mol
Exact Mass1875.82
IUPAC Name1-[6-(methylamino)-1H-benzimidazol-2-yl]ethanone;1-[5-(methylamino)-1-benzofuran-2-yl]ethanone;1-[5-(methylamino)-1-benzothiophen-2-yl]ethanone;1-[6-(methylamino)-1,3-benzoxazol-2-yl]ethanone;1-[5-(methylamino)-1H-indol-2-yl]ethanone;1-[3-(methylamino)phenyl]ethanone;1-[4-(methylamino)phenyl]ethanone;1-[2-(methylamino)-1,3-thiazol-4-yl]ethanone;1-[4-(methylamino)thiophen-2-yl]ethanone;1-[1-methyl-4-(methylamino)imidazol-2-yl]ethanone;1-[1-methyl-4-(methylamino)pyrrol-2-yl]ethanone
SMILESCNc1cc(C(C)=O)n(C)c1.CNc1ccc(C(C)=O)cc1.CNc1ccc2[nH]c(C(C)=O)cc2c1.CNc1ccc2nc(C(C)=O)[nH]c2c1.CNc1ccc2nc(C(C)=O)oc2c1.CNc1ccc2oc(C(C)=O)cc2c1.CNc1ccc2sc(C(C)=O)cc2c1.CNc1cccc(C(C)=O)c1.CNc1cn(C)c(C(C)=O)n1.CNc1csc(C(C)=O)c1.CNc1nc(C(C)=O)cs1
InChIInChI=1S/C11H12N2O.C11H11NO2.C11H11NOS.C10H11N3O.C10H10N2O2.2C9H11NO.C8H12N2O.C7H11N3O.C7H9NOS.C6H8N2OS/c1-7(14)11-6-8-5-9(12-2)3-4-10(8)13-11;2*1-7(13)11-6-8-5-9(12-2)3-4-10(8)14-11;1-6(14)10-12-8-4-3-7(11-2)5-9(8)13-10;1-6(13)10-12-8-4-3-7(11-2)5-9(8)14-10;1-7(11)8-3-5-9(10-2)6-4-8;1-7(11)8-4-3-5-9(6-8)10-2;1-6(11)8-4-7(9-2)5-10(8)3;1-5(11)7-9-6(8-2)4-10(7)3;1-5(9)7-3-6(8-2)4-10-7;1-4(9)5-3-10-6(7-2)8-5/h3-6,12-13H,1-2H3;2*3-6,12H,1-2H3;3-5,11H,1-2H3,(H,12,13);3-5,11H,1-2H3;2*3-6,10H,1-2H3;4-5,9H,1-3H3;4,8H,1-3H3;3-4,8H,1-2H3;3H,1-2H3,(H,7,8)
InChIKeyGTCQSNVIAIOJBA-UHFFFAOYSA-N
XLogP21.29
TPSA439.38 Ų
H-Bond Donors13
H-Bond Acceptors33
Rotatable Bonds22
Heavy Atoms134
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001877.35
LogP ≤ 521.29
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1033

Analyze 1-[6-(methylamino)-1H-benzimidazol-2-yl]ethanone;1-[5-(methylamino)-1-benzofuran-2-yl]ethanone;1-[5-(methylamino)-1-benzothiophen-2-yl]ethanone;1-[6-(methylamino)-1,3-benzoxazol-2-yl]ethanone;1-[5-(methylamino)-1H-indol-2-yl]ethanone;1-[3-(methylamino)phenyl]ethanone;1-[4-(methylamino)phenyl]ethanone;1-[2-(methylamino)-1,3-thiazol-4-yl]ethanone;1-[4-(methylamino)thiophen-2-yl]ethanone;1-[1-methyl-4-(methylamino)imidazol-2-yl]ethanone;1-[1-methyl-4-(methylamino)pyrrol-2-yl]ethanone with MolForge

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Related Compounds

5-(5,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;6-(5,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;5-(8-fluoro-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(8-fluoro-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(12-fluoro-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-4-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;4-[5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;6-(9-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole
CID 157156199
2-[6-(1,3-Benzothiazol-2-yl)-9-[5-(1-naphthalen-1-ylbenzimidazol-2-yl)-2-pyridinyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzothiazol-2-yl)-9-[5-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzothiazol-2-yl)-9-[5-(1-phenylbenzimidazol-2-yl)pyrimidin-2-yl]carbazol-3-yl]-1,3-benzothiazole;2-[6-(1,3-benzoxazol-2-yl)-9-dibenzofuran-1-ylcarbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-dibenzofuran-2-ylcarbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-dibenzofuran-3-ylcarbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-dibenzofuran-4-ylcarbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(3-dibenzofuran-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 157294027
4-([1]Benzothiolo[3,2-b]carbazol-11-yl)-6-phenyl-1,3-benzoxazole;5-([1]benzothiolo[3,2-b]carbazol-11-yl)-7-phenyl-1,3-benzoxazole;11-(1-phenylbenzimidazol-5-yl)-[1]benzothiolo[3,2-b]carbazole;11-(6-phenyl-1,3-benzothiazol-4-yl)-[1]benzothiolo[3,2-b]carbazole
CID 157312381
2-(1-benzofuran-2-carbonylamino)-4-(1,3-benzothiazol-2-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(1,3-benzothiazol-5-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(1-benzothiophen-2-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(1H-indol-3-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(1-methylindol-5-yl)thiophene-3-carboxylic acid;4-(1,3-benzothiazol-2-yl)-2-(1,3-benzoxazole-2-carbonylamino)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-imidazo[1,2-a]pyridin-6-ylthiophene-3-carboxylic acid
CID 157365319
2-[2-(1-benzofuran-2-yl)-2-oxoethyl]-4-(1,3-benzothiazol-2-yl)thiophene-3-carboxylic acid;2-[2-(1-benzofuran-2-yl)-2-oxoethyl]-4-(1-benzothiophen-2-yl)thiophene-3-carboxylic acid;2-[2-(1-benzofuran-2-yl)-2-oxoethyl]-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophene-3-carboxylic acid;2-[2-(1-benzofuran-2-yl)-2-oxoethyl]-4-(1H-indol-3-yl)thiophene-3-carboxylic acid;2-[2-(1-benzofuran-2-yl)-2-oxoethyl]-4-(1-methylindol-5-yl)thiophene-3-carboxylic acid;4-(1,3-benzothiazol-2-yl)-2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-imidazo[1,2-a]pyridin-6-ylthiophene-3-carboxylic acid
CID 157433573
1H-benzimidazole;bis(1-benzofuran);1,3-benzothiazole;bis(1-benzothiophene);1,3-benzoxazole;5H-cyclopenta[b]pyridine;tris(6H-cyclopenta[b]pyridine);5H-cyclopenta[c]pyridine;tris(6H-cyclopenta[c]pyridine);furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;tris(2H-indene);bis(1H-indole);tris(2H-indole);1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine
CID 157494026
2,7-di(propan-2-yl)-3,6-dihydropyrrolo[3,2-e]benzimidazole;2,7-di(propan-2-yl)-1,6-dihydropyrrolo[2,3-e]indole;2,7-di(propan-2-yl)-6H-furo[2,3-e]indole;2,7-di(propan-2-yl)-6H-pyrrolo[2,3-g][1,3]benzothiazole;2,7-di(propan-2-yl)-6H-pyrrolo[2,3-g][1,3]benzoxazole;2,7-di(propan-2-yl)-6H-thieno[2,3-e]indole;1-methyl-2,7-di(propan-2-yl)-6H-pyrrolo[3,2-e]benzimidazole;1-methyl-2,7-di(propan-2-yl)-6H-pyrrolo[2,3-e]indole
CID 157648468
CID 157845462
CID 157845462
2-methyl-3,5-dihydrocyclopenta[f]benzimidazole;2-methyl-6,7-dihydro-1H-furo[2,3-f]benzimidazole;2-methyl-1,5-dihydropyrrolo[2,3-f]benzimidazole;2-methyl-1,7-dihydropyrrolo[2,3-f]benzimidazole;2-methyl-6,7-dihydro-1H-thieno[2,3-f]benzimidazole;bis(2-methyl-1H-furo[2,3-f]benzimidazole);tris(2-methyl-3,5,6,7-tetrahydrocyclopenta[f]benzimidazole);bis(2-methyl-1,5,6,7-tetrahydropyrrolo[2,3-f]benzimidazole);2-methyl-1H-thieno[2,3-f]benzimidazole
CID 157878271
3H-[1]benzofuro[3,2-f][1,3]benzoxazole-2-thione;1,2-dimethyl-[1]benzothiolo[3,2-f]benzimidazol-6-ol;3-ethyl-2-methyl-[1]benzothiolo[2,3-e]benzimidazole;N-(3-ethyl-2-methyl-5H-pyrrolo[3,2-f]benzimidazol-7-yl)acetamide;2-methylfuro[3,2-f][1,3]benzoxazole-6-carboxylic acid;2-methylthieno[3,2-f][1,3]benzothiazole;N,N,2,9-tetramethyl-[1,3]oxazolo[5,4-b]carbazol-6-amine;7,8,8-trimethylfuro[2,3-e]indole
CID 157900051
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
2-(3H-benzimidazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(1,3-benzothiazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(1-benzothiophen-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(1H-indol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide;2-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-5-carboxamide
CID 157954444

Frequently Asked Questions

What is the IUPAC name of 1-[6-(methylamino)-1H-benzimidazol-2-yl]ethanone;1-[5-(methylamino)-1-benzofuran-2-yl]ethanone;1-[5-(methylamino)-1-benzothiophen-2-yl]ethanone;1-[6-(methylamino)-1,3-benzoxazol-2-yl]ethanone;1-[5-(methylamino)-1H-indol-2-yl]ethanone;1-[3-(methylamino)phenyl]ethanone;1-[4-(methylamino)phenyl]ethanone;1-[2-(methylamino)-1,3-thiazol-4-yl]ethanone;1-[4-(methylamino)thiophen-2-yl]ethanone;1-[1-methyl-4-(methylamino)imidazol-2-yl]ethanone;1-[1-methyl-4-(methylamino)pyrrol-2-yl]ethanone?
The IUPAC name of 1-[6-(methylamino)-1H-benzimidazol-2-yl]ethanone;1-[5-(methylamino)-1-benzofuran-2-yl]ethanone;1-[5-(methylamino)-1-benzothiophen-2-yl]ethanone;1-[6-(methylamino)-1,3-benzoxazol-2-yl]ethanone;1-[5-(methylamino)-1H-indol-2-yl]ethanone;1-[3-(methylamino)phenyl]ethanone;1-[4-(methylamino)phenyl]ethanone;1-[2-(methylamino)-1,3-thiazol-4-yl]ethanone;1-[4-(methylamino)thiophen-2-yl]ethanone;1-[1-methyl-4-(methylamino)imidazol-2-yl]ethanone;1-[1-methyl-4-(methylamino)pyrrol-2-yl]ethanone (CID 158358001) is 1-[6-(methylamino)-1H-benzimidazol-2-yl]ethanone;1-[5-(methylamino)-1-benzofuran-2-yl]ethanone;1-[5-(methylamino)-1-benzothiophen-2-yl]ethanone;1-[6-(methylamino)-1,3-benzoxazol-2-yl]ethanone;1-[5-(methylamino)-1H-indol-2-yl]ethanone;1-[3-(methylamino)phenyl]ethanone;1-[4-(methylamino)phenyl]ethanone;1-[2-(methylamino)-1,3-thiazol-4-yl]ethanone;1-[4-(methylamino)thiophen-2-yl]ethanone;1-[1-methyl-4-(methylamino)imidazol-2-yl]ethanone;1-[1-methyl-4-(methylamino)pyrrol-2-yl]ethanone.
What is the SMILES notation for 1-[6-(methylamino)-1H-benzimidazol-2-yl]ethanone;1-[5-(methylamino)-1-benzofuran-2-yl]ethanone;1-[5-(methylamino)-1-benzothiophen-2-yl]ethanone;1-[6-(methylamino)-1,3-benzoxazol-2-yl]ethanone;1-[5-(methylamino)-1H-indol-2-yl]ethanone;1-[3-(methylamino)phenyl]ethanone;1-[4-(methylamino)phenyl]ethanone;1-[2-(methylamino)-1,3-thiazol-4-yl]ethanone;1-[4-(methylamino)thiophen-2-yl]ethanone;1-[1-methyl-4-(methylamino)imidazol-2-yl]ethanone;1-[1-methyl-4-(methylamino)pyrrol-2-yl]ethanone?
The canonical SMILES for 1-[6-(methylamino)-1H-benzimidazol-2-yl]ethanone;1-[5-(methylamino)-1-benzofuran-2-yl]ethanone;1-[5-(methylamino)-1-benzothiophen-2-yl]ethanone;1-[6-(methylamino)-1,3-benzoxazol-2-yl]ethanone;1-[5-(methylamino)-1H-indol-2-yl]ethanone;1-[3-(methylamino)phenyl]ethanone;1-[4-(methylamino)phenyl]ethanone;1-[2-(methylamino)-1,3-thiazol-4-yl]ethanone;1-[4-(methylamino)thiophen-2-yl]ethanone;1-[1-methyl-4-(methylamino)imidazol-2-yl]ethanone;1-[1-methyl-4-(methylamino)pyrrol-2-yl]ethanone is CNc1cc(C(C)=O)n(C)c1.CNc1ccc(C(C)=O)cc1.CNc1ccc2[nH]c(C(C)=O)cc2c1.CNc1ccc2nc(C(C)=O)[nH]c2c1.CNc1ccc2nc(C(C)=O)oc2c1.CNc1ccc2oc(C(C)=O)cc2c1.CNc1ccc2sc(C(C)=O)cc2c1.CNc1cccc(C(C)=O)c1.CNc1cn(C)c(C(C)=O)n1.CNc1csc(C(C)=O)c1.CNc1nc(C(C)=O)cs1.
What is the InChIKey of 1-[6-(methylamino)-1H-benzimidazol-2-yl]ethanone;1-[5-(methylamino)-1-benzofuran-2-yl]ethanone;1-[5-(methylamino)-1-benzothiophen-2-yl]ethanone;1-[6-(methylamino)-1,3-benzoxazol-2-yl]ethanone;1-[5-(methylamino)-1H-indol-2-yl]ethanone;1-[3-(methylamino)phenyl]ethanone;1-[4-(methylamino)phenyl]ethanone;1-[2-(methylamino)-1,3-thiazol-4-yl]ethanone;1-[4-(methylamino)thiophen-2-yl]ethanone;1-[1-methyl-4-(methylamino)imidazol-2-yl]ethanone;1-[1-methyl-4-(methylamino)pyrrol-2-yl]ethanone?
The InChIKey is GTCQSNVIAIOJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O.C11H11NO2.C11H11NOS.C10H11N3O.C10H10N2O2.2C9H11NO.C8H12N2O.C7H11N3O.C7H9NOS.C6H8N2OS/c1-7(14)11-6-8-5-9(12-2)3-4-10(8)13-11;2*1-7(13)11-6-8-5-9(12-2)3-4-10(8)14-11;1-6(14)10-12-8-4-3-7(11-2)5-9(8)13-10;1-6(13)10-12-8-4-3-7(11-2)5-9(8)14-10;1-7(11)8-3-5-9(10-2)6-4-8;1-7(11)8-4-3-5-9(6-8)10-2;1-6(11)8-4-7(9-2)5-10(8)3;1-5(11)7-9-6(8-2)4-10(7)3;1-5(9)7-3-6(8-2)4-10-7;1-4(9)5-3-10-6(7-2)8-5/h3-6,12-13H,1-2H3;2*3-6,12H,1-2H3;3-5,11H,1-2H3,(H,12,13);3-5,11H,1-2H3;2*3-6,10H,1-2H3;4-5,9H,1-3H3;4,8H,1-3H3;3-4,8H,1-2H3;3H,1-2H3,(H,7,8).
What are the key properties of 1-[6-(methylamino)-1H-benzimidazol-2-yl]ethanone;1-[5-(methylamino)-1-benzofuran-2-yl]ethanone;1-[5-(methylamino)-1-benzothiophen-2-yl]ethanone;1-[6-(methylamino)-1,3-benzoxazol-2-yl]ethanone;1-[5-(methylamino)-1H-indol-2-yl]ethanone;1-[3-(methylamino)phenyl]ethanone;1-[4-(methylamino)phenyl]ethanone;1-[2-(methylamino)-1,3-thiazol-4-yl]ethanone;1-[4-(methylamino)thiophen-2-yl]ethanone;1-[1-methyl-4-(methylamino)imidazol-2-yl]ethanone;1-[1-methyl-4-(methylamino)pyrrol-2-yl]ethanone?
1-[6-(methylamino)-1H-benzimidazol-2-yl]ethanone;1-[5-(methylamino)-1-benzofuran-2-yl]ethanone;1-[5-(methylamino)-1-benzothiophen-2-yl]ethanone;1-[6-(methylamino)-1,3-benzoxazol-2-yl]ethanone;1-[5-(methylamino)-1H-indol-2-yl]ethanone;1-[3-(methylamino)phenyl]ethanone;1-[4-(methylamino)phenyl]ethanone;1-[2-(methylamino)-1,3-thiazol-4-yl]ethanone;1-[4-(methylamino)thiophen-2-yl]ethanone;1-[1-methyl-4-(methylamino)imidazol-2-yl]ethanone;1-[1-methyl-4-(methylamino)pyrrol-2-yl]ethanone has a molecular weight of 1877.35 g/mol, XLogP of 21.29, 22 rotatable bonds, 13 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(methylamino)-1H-benzimidazol-2-yl]ethanone;1-[5-(methylamino)-1-benzofuran-2-yl]ethanone;1-[5-(methylamino)-1-benzothiophen-2-yl]ethanone;1-[6-(methylamino)-1,3-benzoxazol-2-yl]ethanone;1-[5-(methylamino)-1H-indol-2-yl]ethanone;1-[3-(methylamino)phenyl]ethanone;1-[4-(methylamino)phenyl]ethanone;1-[2-(methylamino)-1,3-thiazol-4-yl]ethanone;1-[4-(methylamino)thiophen-2-yl]ethanone;1-[1-methyl-4-(methylamino)imidazol-2-yl]ethanone;1-[1-methyl-4-(methylamino)pyrrol-2-yl]ethanone is sourced from PubChem (CID 158358001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).