1-benzyl-5-methylimidazole;1,4-dimethylpiperidine;ethane;2-methyl-1,3-benzodioxole;2-methyl-1-benzofuran;1-methylbenzotriazole;5-methyl-2,1,3-benzoxadiazole;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;6-methyl-2,3-dihydro-1-benzofuran;2-methyl-2,3-dihydrofuro[2,3-b]pyridine;2-methylfuran;tris(3-methylfuran);2-methylimidazo[1,2-a]pyridine;2-methyl-1H-imidazole;4-methylmorpholine;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyloxolane;2-methyl-5-phenylfuran;2-methylpyrazine;2-methylquinoxaline;5-methyl-1,2,4-thiadiazole;pyrazine;pyridazine;pyridine;pyrimidine

C189H232N32O18S — CID 157366026

IUPAC1-benzyl-5-methylimidazole;1,4-dimethylpiperidine;ethane;2-methyl-1,3-benzodioxole;2-methyl-1-benzofuran;1-methylbenzotriazole;5-methyl-2,1,3-benzoxadiazole;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;6-methyl-2,3-dihydro-1-benzofuran;2-methyl-2,3-dihydrofuro[2,3-b]pyridine;2-methylfuran;tris(3-methylfuran);2-methylimidazo[1,2-a]pyridine;2-methyl-1H-imidazole;4-methylmorpholine;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyloxolane;2-methyl-5-phenylfuran;2-methylpyrazine;2-methylquinoxaline;5-methyl-1,2,4-thiadiazole;pyrazine;pyridazine;pyridine;pyrimidine
SMILESCC.CC.CC.CC.CC1CCN(C)CC1.CC1CCOC1.CC1Cc2cccnc2O1.CC1Oc2ccccc2O1.CN1CCOCC1.Cc1cc2ccccc2o1.Cc1ccc(-c2ccccc2)o1.Cc1ccc2c(c1)OCC2.Cc1ccc2nonc2c1.Cc1ccco1.Cc1ccno1.Cc1ccoc1.Cc1ccoc1.Cc1ccoc1.Cc1ccon1.Cc1cn2ccccc2n1.Cc1cnc2ccccc2n1.Cc1cnccn1.Cc1cncn1Cc1ccccc1.Cc1cnoc1.Cc1nc2ccccc2o1.Cc1ncc[nH]1.Cc1ncns1.Cc1noc2ccccc12.Cn1nnc2ccccc21.c1ccncc1.c1ccnnc1.c1cnccn1.c1cncnc1
InChIInChI=1S/C11H12N2.C11H10O.C9H8N2.C9H10O.C9H8O.C8H8N2.C8H9NO.2C8H7NO.C8H8O2.C7H7N3.C7H6N2O.C7H15N.C5H6N2.C5H11NO.C5H5N.C5H10O.4C5H6O.C4H6N2.3C4H4N2.3C4H5NO.C3H4N2S.4C2H6/c1-10-7-12-9-13(10)8-11-5-3-2-4-6-11;1-9-7-8-11(12-9)10-5-3-2-4-6-10;1-7-6-10-8-4-2-3-5-9(8)11-7;1-7-2-3-8-4-5-10-9(8)6-7;1-7-6-8-4-2-3-5-9(8)10-7;1-7-6-10-5-3-2-4-8(10)9-7;1-6-5-7-3-2-4-9-8(7)10-6;1-6-9-7-4-2-3-5-8(7)10-6;1-6-7-4-2-3-5-8(7)10-9-6;1-6-9-7-4-2-3-5-8(7)10-6;1-10-7-5-3-2-4-6(7)8-9-10;1-5-2-3-6-7(4-5)9-10-8-6;1-7-3-5-8(2)6-4-7;1-5-4-6-2-3-7-5;1-6-2-4-7-5-3-6;1-2-4-6-5-3-1;4*1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-4-5-2-3-6-4;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;1-4-2-5-6-3-4;1-4-2-3-6-5-4;1-4-2-3-5-6-4;1-3-4-2-5-6-3;4*1-2/h2-7,9H,8H2,1H3;2-8H,1H3;2-6H,1H3;2-3,6H,4-5H2,1H3;2*2-6H,1H3;2-4,6H,5H2,1H3;2*2-5H,1H3;2-6H,1H3;2-5H,1H3;2-4H,1H3;7H,3-6H2,1-2H3;2-4H,1H3;2-5H2,1H3;1-5H;5H,2-4H2,1H3;4*2-4H,1H3;2-3H,1H3,(H,5,6);3*1-4H;3*2-3H,1H3;2H,1H3;4*1-2H3
InChIKeyBJEOFVFGMWLMCU-UHFFFAOYSA-N
MW3272.21 g/mol
LogP44.33
Rot. Bonds3

About 1-benzyl-5-methylimidazole;1,4-dimethylpiperidine;ethane;2-methyl-1,3-benzodioxole;2-methyl-1-benzofuran;1-methylbenzotriazole;5-methyl-2,1,3-benzoxadiazole;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;6-methyl-2,3-dihydro-1-benzofuran;2-methyl-2,3-dihydrofuro[2,3-b]pyridine;2-methylfuran;tris(3-methylfuran);2-methylimidazo[1,2-a]pyridine;2-methyl-1H-imidazole;4-methylmorpholine;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyloxolane;2-methyl-5-phenylfuran;2-methylpyrazine;2-methylquinoxaline;5-methyl-1,2,4-thiadiazole;pyrazine;pyridazine;pyridine;pyrimidine

1-benzyl-5-methylimidazole;1,4-dimethylpiperidine;ethane;2-methyl-1,3-benzodioxole;2-methyl-1-benzofuran;1-methylbenzotriazole;5-methyl-2,1,3-benzoxadiazole;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;6-methyl-2,3-dihydro-1-benzofuran;2-methyl-2,3-dihydrofuro[2,3-b]pyridine;2-methylfuran;tris(3-methylfuran);2-methylimidazo[1,2-a]pyridine;2-methyl-1H-imidazole;4-methylmorpholine;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyloxolane;2-methyl-5-phenylfuran;2-methylpyrazine;2-methylquinoxaline;5-methyl-1,2,4-thiadiazole;pyrazine;pyridazine;pyridine;pyrimidine (PubChem CID 157366026) has the molecular formula C189H232N32O18S and a molecular weight of 3272.21 g/mol. Its IUPAC name is 1-benzyl-5-methylimidazole;1,4-dimethylpiperidine;ethane;2-methyl-1,3-benzodioxole;2-methyl-1-benzofuran;1-methylbenzotriazole;5-methyl-2,1,3-benzoxadiazole;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;6-methyl-2,3-dihydro-1-benzofuran;2-methyl-2,3-dihydrofuro[2,3-b]pyridine;2-methylfuran;tris(3-methylfuran);2-methylimidazo[1,2-a]pyridine;2-methyl-1H-imidazole;4-methylmorpholine;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyloxolane;2-methyl-5-phenylfuran;2-methylpyrazine;2-methylquinoxaline;5-methyl-1,2,4-thiadiazole;pyrazine;pyridazine;pyridine;pyrimidine.

Molecular Properties

Compound Name1-benzyl-5-methylimidazole;1,4-dimethylpiperidine;ethane;2-methyl-1,3-benzodioxole;2-methyl-1-benzofuran;1-methylbenzotriazole;5-methyl-2,1,3-benzoxadiazole;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;6-methyl-2,3-dihydro-1-benzofuran;2-methyl-2,3-dihydrofuro[2,3-b]pyridine;2-methylfuran;tris(3-methylfuran);2-methylimidazo[1,2-a]pyridine;2-methyl-1H-imidazole;4-methylmorpholine;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyloxolane;2-methyl-5-phenylfuran;2-methylpyrazine;2-methylquinoxaline;5-methyl-1,2,4-thiadiazole;pyrazine;pyridazine;pyridine;pyrimidine
PubChem CID157366026
Molecular FormulaC189H232N32O18S
Molecular Weight3272.21 g/mol
Exact Mass3269.79
IUPAC Name1-benzyl-5-methylimidazole;1,4-dimethylpiperidine;ethane;2-methyl-1,3-benzodioxole;2-methyl-1-benzofuran;1-methylbenzotriazole;5-methyl-2,1,3-benzoxadiazole;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;6-methyl-2,3-dihydro-1-benzofuran;2-methyl-2,3-dihydrofuro[2,3-b]pyridine;2-methylfuran;tris(3-methylfuran);2-methylimidazo[1,2-a]pyridine;2-methyl-1H-imidazole;4-methylmorpholine;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyloxolane;2-methyl-5-phenylfuran;2-methylpyrazine;2-methylquinoxaline;5-methyl-1,2,4-thiadiazole;pyrazine;pyridazine;pyridine;pyrimidine
SMILESCC.CC.CC.CC.CC1CCN(C)CC1.CC1CCOC1.CC1Cc2cccnc2O1.CC1Oc2ccccc2O1.CN1CCOCC1.Cc1cc2ccccc2o1.Cc1ccc(-c2ccccc2)o1.Cc1ccc2c(c1)OCC2.Cc1ccc2nonc2c1.Cc1ccco1.Cc1ccno1.Cc1ccoc1.Cc1ccoc1.Cc1ccoc1.Cc1ccon1.Cc1cn2ccccc2n1.Cc1cnc2ccccc2n1.Cc1cnccn1.Cc1cncn1Cc1ccccc1.Cc1cnoc1.Cc1nc2ccccc2o1.Cc1ncc[nH]1.Cc1ncns1.Cc1noc2ccccc12.Cn1nnc2ccccc21.c1ccncc1.c1ccnnc1.c1cnccn1.c1cncnc1
InChIInChI=1S/C11H12N2.C11H10O.C9H8N2.C9H10O.C9H8O.C8H8N2.C8H9NO.2C8H7NO.C8H8O2.C7H7N3.C7H6N2O.C7H15N.C5H6N2.C5H11NO.C5H5N.C5H10O.4C5H6O.C4H6N2.3C4H4N2.3C4H5NO.C3H4N2S.4C2H6/c1-10-7-12-9-13(10)8-11-5-3-2-4-6-11;1-9-7-8-11(12-9)10-5-3-2-4-6-10;1-7-6-10-8-4-2-3-5-9(8)11-7;1-7-2-3-8-4-5-10-9(8)6-7;1-7-6-8-4-2-3-5-9(8)10-7;1-7-6-10-5-3-2-4-8(10)9-7;1-6-5-7-3-2-4-9-8(7)10-6;1-6-9-7-4-2-3-5-8(7)10-6;1-6-7-4-2-3-5-8(7)10-9-6;1-6-9-7-4-2-3-5-8(7)10-6;1-10-7-5-3-2-4-6(7)8-9-10;1-5-2-3-6-7(4-5)9-10-8-6;1-7-3-5-8(2)6-4-7;1-5-4-6-2-3-7-5;1-6-2-4-7-5-3-6;1-2-4-6-5-3-1;4*1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-4-5-2-3-6-4;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;1-4-2-5-6-3-4;1-4-2-3-6-5-4;1-4-2-3-5-6-4;1-3-4-2-5-6-3;4*1-2/h2-7,9H,8H2,1H3;2-8H,1H3;2-6H,1H3;2-3,6H,4-5H2,1H3;2*2-6H,1H3;2-4,6H,5H2,1H3;2*2-5H,1H3;2-6H,1H3;2-5H,1H3;2-4H,1H3;7H,3-6H2,1-2H3;2-4H,1H3;2-5H2,1H3;1-5H;5H,2-4H2,1H3;4*2-4H,1H3;2-3H,1H3,(H,5,6);3*1-4H;3*2-3H,1H3;2H,1H3;4*1-2H3
InChIKeyBJEOFVFGMWLMCU-UHFFFAOYSA-N
XLogP44.33
TPSA584.74 Ų
H-Bond Donors1
H-Bond Acceptors50
Rotatable Bonds3
Heavy Atoms240
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003272.21
LogP ≤ 544.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1050

Analyze 1-benzyl-5-methylimidazole;1,4-dimethylpiperidine;ethane;2-methyl-1,3-benzodioxole;2-methyl-1-benzofuran;1-methylbenzotriazole;5-methyl-2,1,3-benzoxadiazole;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;6-methyl-2,3-dihydro-1-benzofuran;2-methyl-2,3-dihydrofuro[2,3-b]pyridine;2-methylfuran;tris(3-methylfuran);2-methylimidazo[1,2-a]pyridine;2-methyl-1H-imidazole;4-methylmorpholine;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyloxolane;2-methyl-5-phenylfuran;2-methylpyrazine;2-methylquinoxaline;5-methyl-1,2,4-thiadiazole;pyrazine;pyridazine;pyridine;pyrimidine with MolForge

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Related Compounds

4-tert-butyl-2H-benzotriazole;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-4-fluoro-2H-indazole;3-tert-butyl-5-fluoro-2H-indazole;3-tert-butyl-6-fluoro-2H-indazole;4-tert-butyl-5-fluoro-1-methylpyrrolo[2,3-b]pyridine;4-tert-butyl-3-fluoro-1H-pyrrolo[2,3-b]pyridine;4-tert-butyl-5-fluoro-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-2H-indazole;4-tert-butyl-1-methylbenzimidazole;3-tert-butyl-2-methylindazole;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;5-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butyl-1H-pyrrolo[2,3-b]pyridine;4-tert-butyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine;2-methyl-6-propan-2-yl-1,3-benzoxazole
CID 158251202
1,3-benzodioxole;1,3-dihydro-2-benzofuran;3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;3,4-dihydro-1H-isochromene;hexadecakis(2-methylpropane);1-phenylimidazole;2-phenyl-1,3,4-oxadiazole;2-phenyl-1,3-oxazole;5-phenyl-1,2-oxazole;1-phenylpyrazole;5-phenyl-1H-pyrazole;2-phenylpyrimidine;2-phenyltriazole;1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline
CID 157152490
4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-(2-carbamoylphenyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-pyrrolidin-1-ylphenyl)methyl]carbamate;4-[6-amino-2-(3,5-dimethyl-1,2-oxazol-4-yl)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(furan-2-yl)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(methylamino)purin-9-yl]butyl N-[(3-phenylphenyl)methyl]carbamate;4-[6-amino-2-(2-methylpyrazol-3-yl)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(1-methylpyrrol-2-yl)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate
CID 157328061
benzene;3-tert-butyl-1,2-benzoxazole;4-tert-butyl-1,2-benzoxazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,2-benzoxazole;1-tert-butylimidazo[1,5-a]pyridine;5-tert-butyl-3H-pyrazolo[1,5-a]pyridin-8-ium;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;undecakis(2,2-dimethylpropane);1-(2,2-dimethylpropyl)indazole;furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;pyrazine;pyrazolo[1,5-a]pyridine;pyridazine;pyridine;1H-pyridin-2-one;pyrimidine;2H-pyrrole
CID 157369125
1H-benzimidazole;1-benzofuran;2-benzofuran;1,2-benzoxazole;1,3-benzoxazole;cinnoline;6H-cyclopenta[b]pyridine;6H-cyclopenta[c]pyridine;ethane;1H-imidazo[4,5-b]pyridine;1H-indazole;2H-indene;1H-indole;isoquinoline;1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;phthalazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;quinazoline;quinoline;quinoxaline
CID 157558154
4-[1-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]benzamide;6-[2-tert-butyl-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoxaline;2-methyl-6-[4-[2-[(1-methylimidazol-4-yl)methoxy]-4-pyridinyl]-1H-pyrazol-5-yl]pyridine;2-methyl-4-phenyl-5-pyridin-4-yl-1,3-oxazole;3-(6-methyl-2-pyridinyl)-N-phenyl-4-quinolin-4-ylpyrazole-1-carbothioamide
CID 157786345
N-(1-benzofuran-6-yl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-(2,3-dihydro-1-benzofuran-6-yl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;2-[[5-([1,3]dioxolo[4,5-b]pyridin-7-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide;2-[[4-ethyl-5-(3-methylimidazo[4,5-b]pyridin-7-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(1,7-naphthyridin-4-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(1,8-naphthyridin-4-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;bis(2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-methyl-2,3-dihydroindol-7-yl)acetamide)
CID 157787033
1,3-benzodioxole;1,3-dihydro-2-benzofuran;2,3-dihydro-1H-indene;3,4-dihydro-1H-isochromene;henicosakis(2-methylpropane);1-phenylimidazole;4-phenylmorpholine;2-phenyl-1,3,4-oxadiazole;2-phenyl-1,3-oxazole;5-phenyl-1,2-oxazole;1-phenylpiperazine;1-phenylpiperidine;1-phenylpyrazole;5-phenyl-1H-pyrazole;2-phenylpyridine;3-phenylpyridine;4-phenylpyridine;2-phenylpyrimidine;2-phenyltriazole;2-pyridin-3-ylpyrimidine;1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline
CID 157937048
ethane;5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;5-propan-2-yl-3H-2-benzofuran-1-one;5-propan-2-yl-1,2-benzoxazole;6-propan-2-yl-1,2-benzoxazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-yl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one;3-propan-2-ylfuro[3,2-b]pyridine;6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine;6-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;6-propan-2-yl-[1,2,4]triazolo[1,5-b]pyridazine;6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;bis(7-propan-2-yl-2H-triazolo[4,5-b]pyridine)
CID 157990219
ethane;5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;5-propan-2-yl-3H-1-benzofuran-2-one;5-propan-2-yl-3H-2-benzofuran-1-one;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1,3-benzoxazole;bis(6-propan-2-yl-1,2-benzoxazole);6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-yl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one;3-propan-2-ylfuro[3,2-b]pyridine;2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine;6-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;6-propan-2-yl-[1,2,4]triazolo[1,5-b]pyridazine;6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;bis(7-propan-2-yl-2H-triazolo[4,5-b]pyridine)
CID 158026452
6-tert-butyl-1-benzofuran;3-tert-butyl-1,2-benzoxazole;4-tert-butyl-1,2-benzoxazole;5-tert-butyl-1,3-benzoxazole;1-tert-butylimidazo[1,5-a]pyridine;6-tert-butyl-1H-indole;7-tert-butylindolizine;2-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butylpyrazolo[1,5-a]pyridine;1-(2,2-dimethylpropyl)indazole
CID 158101082
1-benzyl-5-methylimidazole;6-chloro-2-methylimidazo[1,2-a]pyridine;2-(4-chlorophenyl)-5-methylfuran;2,3-dimethylfuran;3,5-dimethyl-1,2-oxazole;1,4-dimethylpiperidine;2,5-dimethylpyrazine;6-methoxy-2-methyl-2,3-dihydrofuro[2,3-b]pyridine;2-methyl-1-benzofuran;1-methylbenzotriazole;5-methyl-2,1,3-benzoxadiazole;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;6-methyl-2,3-dihydro-1-benzofuran;2-methylfuran;3-methylfuran;2-methyl-1H-imidazole;4-methylmorpholine;5-methyl-1,2-oxazole;3-methyloxolane;2-methylquinoxaline;5-methyl-1,2,4-thiadiazole
CID 158226009

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-methylimidazole;1,4-dimethylpiperidine;ethane;2-methyl-1,3-benzodioxole;2-methyl-1-benzofuran;1-methylbenzotriazole;5-methyl-2,1,3-benzoxadiazole;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;6-methyl-2,3-dihydro-1-benzofuran;2-methyl-2,3-dihydrofuro[2,3-b]pyridine;2-methylfuran;tris(3-methylfuran);2-methylimidazo[1,2-a]pyridine;2-methyl-1H-imidazole;4-methylmorpholine;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyloxolane;2-methyl-5-phenylfuran;2-methylpyrazine;2-methylquinoxaline;5-methyl-1,2,4-thiadiazole;pyrazine;pyridazine;pyridine;pyrimidine?
The IUPAC name of 1-benzyl-5-methylimidazole;1,4-dimethylpiperidine;ethane;2-methyl-1,3-benzodioxole;2-methyl-1-benzofuran;1-methylbenzotriazole;5-methyl-2,1,3-benzoxadiazole;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;6-methyl-2,3-dihydro-1-benzofuran;2-methyl-2,3-dihydrofuro[2,3-b]pyridine;2-methylfuran;tris(3-methylfuran);2-methylimidazo[1,2-a]pyridine;2-methyl-1H-imidazole;4-methylmorpholine;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyloxolane;2-methyl-5-phenylfuran;2-methylpyrazine;2-methylquinoxaline;5-methyl-1,2,4-thiadiazole;pyrazine;pyridazine;pyridine;pyrimidine (CID 157366026) is 1-benzyl-5-methylimidazole;1,4-dimethylpiperidine;ethane;2-methyl-1,3-benzodioxole;2-methyl-1-benzofuran;1-methylbenzotriazole;5-methyl-2,1,3-benzoxadiazole;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;6-methyl-2,3-dihydro-1-benzofuran;2-methyl-2,3-dihydrofuro[2,3-b]pyridine;2-methylfuran;tris(3-methylfuran);2-methylimidazo[1,2-a]pyridine;2-methyl-1H-imidazole;4-methylmorpholine;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyloxolane;2-methyl-5-phenylfuran;2-methylpyrazine;2-methylquinoxaline;5-methyl-1,2,4-thiadiazole;pyrazine;pyridazine;pyridine;pyrimidine.
What is the SMILES notation for 1-benzyl-5-methylimidazole;1,4-dimethylpiperidine;ethane;2-methyl-1,3-benzodioxole;2-methyl-1-benzofuran;1-methylbenzotriazole;5-methyl-2,1,3-benzoxadiazole;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;6-methyl-2,3-dihydro-1-benzofuran;2-methyl-2,3-dihydrofuro[2,3-b]pyridine;2-methylfuran;tris(3-methylfuran);2-methylimidazo[1,2-a]pyridine;2-methyl-1H-imidazole;4-methylmorpholine;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyloxolane;2-methyl-5-phenylfuran;2-methylpyrazine;2-methylquinoxaline;5-methyl-1,2,4-thiadiazole;pyrazine;pyridazine;pyridine;pyrimidine?
The canonical SMILES for 1-benzyl-5-methylimidazole;1,4-dimethylpiperidine;ethane;2-methyl-1,3-benzodioxole;2-methyl-1-benzofuran;1-methylbenzotriazole;5-methyl-2,1,3-benzoxadiazole;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;6-methyl-2,3-dihydro-1-benzofuran;2-methyl-2,3-dihydrofuro[2,3-b]pyridine;2-methylfuran;tris(3-methylfuran);2-methylimidazo[1,2-a]pyridine;2-methyl-1H-imidazole;4-methylmorpholine;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyloxolane;2-methyl-5-phenylfuran;2-methylpyrazine;2-methylquinoxaline;5-methyl-1,2,4-thiadiazole;pyrazine;pyridazine;pyridine;pyrimidine is CC.CC.CC.CC.CC1CCN(C)CC1.CC1CCOC1.CC1Cc2cccnc2O1.CC1Oc2ccccc2O1.CN1CCOCC1.Cc1cc2ccccc2o1.Cc1ccc(-c2ccccc2)o1.Cc1ccc2c(c1)OCC2.Cc1ccc2nonc2c1.Cc1ccco1.Cc1ccno1.Cc1ccoc1.Cc1ccoc1.Cc1ccoc1.Cc1ccon1.Cc1cn2ccccc2n1.Cc1cnc2ccccc2n1.Cc1cnccn1.Cc1cncn1Cc1ccccc1.Cc1cnoc1.Cc1nc2ccccc2o1.Cc1ncc[nH]1.Cc1ncns1.Cc1noc2ccccc12.Cn1nnc2ccccc21.c1ccncc1.c1ccnnc1.c1cnccn1.c1cncnc1.
What is the InChIKey of 1-benzyl-5-methylimidazole;1,4-dimethylpiperidine;ethane;2-methyl-1,3-benzodioxole;2-methyl-1-benzofuran;1-methylbenzotriazole;5-methyl-2,1,3-benzoxadiazole;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;6-methyl-2,3-dihydro-1-benzofuran;2-methyl-2,3-dihydrofuro[2,3-b]pyridine;2-methylfuran;tris(3-methylfuran);2-methylimidazo[1,2-a]pyridine;2-methyl-1H-imidazole;4-methylmorpholine;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyloxolane;2-methyl-5-phenylfuran;2-methylpyrazine;2-methylquinoxaline;5-methyl-1,2,4-thiadiazole;pyrazine;pyridazine;pyridine;pyrimidine?
The InChIKey is BJEOFVFGMWLMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2.C11H10O.C9H8N2.C9H10O.C9H8O.C8H8N2.C8H9NO.2C8H7NO.C8H8O2.C7H7N3.C7H6N2O.C7H15N.C5H6N2.C5H11NO.C5H5N.C5H10O.4C5H6O.C4H6N2.3C4H4N2.3C4H5NO.C3H4N2S.4C2H6/c1-10-7-12-9-13(10)8-11-5-3-2-4-6-11;1-9-7-8-11(12-9)10-5-3-2-4-6-10;1-7-6-10-8-4-2-3-5-9(8)11-7;1-7-2-3-8-4-5-10-9(8)6-7;1-7-6-8-4-2-3-5-9(8)10-7;1-7-6-10-5-3-2-4-8(10)9-7;1-6-5-7-3-2-4-9-8(7)10-6;1-6-9-7-4-2-3-5-8(7)10-6;1-6-7-4-2-3-5-8(7)10-9-6;1-6-9-7-4-2-3-5-8(7)10-6;1-10-7-5-3-2-4-6(7)8-9-10;1-5-2-3-6-7(4-5)9-10-8-6;1-7-3-5-8(2)6-4-7;1-5-4-6-2-3-7-5;1-6-2-4-7-5-3-6;1-2-4-6-5-3-1;4*1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-4-5-2-3-6-4;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;1-4-2-5-6-3-4;1-4-2-3-6-5-4;1-4-2-3-5-6-4;1-3-4-2-5-6-3;4*1-2/h2-7,9H,8H2,1H3;2-8H,1H3;2-6H,1H3;2-3,6H,4-5H2,1H3;2*2-6H,1H3;2-4,6H,5H2,1H3;2*2-5H,1H3;2-6H,1H3;2-5H,1H3;2-4H,1H3;7H,3-6H2,1-2H3;2-4H,1H3;2-5H2,1H3;1-5H;5H,2-4H2,1H3;4*2-4H,1H3;2-3H,1H3,(H,5,6);3*1-4H;3*2-3H,1H3;2H,1H3;4*1-2H3.
What are the key properties of 1-benzyl-5-methylimidazole;1,4-dimethylpiperidine;ethane;2-methyl-1,3-benzodioxole;2-methyl-1-benzofuran;1-methylbenzotriazole;5-methyl-2,1,3-benzoxadiazole;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;6-methyl-2,3-dihydro-1-benzofuran;2-methyl-2,3-dihydrofuro[2,3-b]pyridine;2-methylfuran;tris(3-methylfuran);2-methylimidazo[1,2-a]pyridine;2-methyl-1H-imidazole;4-methylmorpholine;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyloxolane;2-methyl-5-phenylfuran;2-methylpyrazine;2-methylquinoxaline;5-methyl-1,2,4-thiadiazole;pyrazine;pyridazine;pyridine;pyrimidine?
1-benzyl-5-methylimidazole;1,4-dimethylpiperidine;ethane;2-methyl-1,3-benzodioxole;2-methyl-1-benzofuran;1-methylbenzotriazole;5-methyl-2,1,3-benzoxadiazole;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;6-methyl-2,3-dihydro-1-benzofuran;2-methyl-2,3-dihydrofuro[2,3-b]pyridine;2-methylfuran;tris(3-methylfuran);2-methylimidazo[1,2-a]pyridine;2-methyl-1H-imidazole;4-methylmorpholine;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyloxolane;2-methyl-5-phenylfuran;2-methylpyrazine;2-methylquinoxaline;5-methyl-1,2,4-thiadiazole;pyrazine;pyridazine;pyridine;pyrimidine has a molecular weight of 3272.21 g/mol, XLogP of 44.33, 3 rotatable bonds, 1 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-methylimidazole;1,4-dimethylpiperidine;ethane;2-methyl-1,3-benzodioxole;2-methyl-1-benzofuran;1-methylbenzotriazole;5-methyl-2,1,3-benzoxadiazole;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;6-methyl-2,3-dihydro-1-benzofuran;2-methyl-2,3-dihydrofuro[2,3-b]pyridine;2-methylfuran;tris(3-methylfuran);2-methylimidazo[1,2-a]pyridine;2-methyl-1H-imidazole;4-methylmorpholine;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyloxolane;2-methyl-5-phenylfuran;2-methylpyrazine;2-methylquinoxaline;5-methyl-1,2,4-thiadiazole;pyrazine;pyridazine;pyridine;pyrimidine is sourced from PubChem (CID 157366026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).