2-methyl-1H-benzimidazole;5-methyl-1,3-benzodioxole;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;1-methyl-4,5-dihydroimidazole;2-methyl-1,5-dihydropyrazole;1-methyl-2,3-dihydropyrrole;2-methyl-1,4-dioxane;bis(4-methyl-1,3-dioxane);2-methylfuran;5-methyl-1H-imidazole;1-methylimidazolidine;3-methyl-2H-indazole;3-methylisoquinoline;4-methylmorpholine;2-methyl-1,3,4-oxadiazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;1-methylphthalazine;1-methylpiperazine;1-methylpiperidine;2-methylpyrazine;5-methyl-1H-pyrazole;1-methylpyrazolidine;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;2-methyl-1H-pyrrole;2-methylquinazoline;2-methylquinoline;2-methylquinoxaline;2-methyl-1,3,4-thiadiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;2-methylthiophene;2-methyl-1,3,5-triazine;1-methyl-1,2,4-triazole

C229H300N54O15S6 — CID 157446176

IUPAC2-methyl-1H-benzimidazole;5-methyl-1,3-benzodioxole;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;1-methyl-4,5-dihydroimidazole;2-methyl-1,5-dihydropyrazole;1-methyl-2,3-dihydropyrrole;2-methyl-1,4-dioxane;bis(4-methyl-1,3-dioxane);2-methylfuran;5-methyl-1H-imidazole;1-methylimidazolidine;3-methyl-2H-indazole;3-methylisoquinoline;4-methylmorpholine;2-methyl-1,3,4-oxadiazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;1-methylphthalazine;1-methylpiperazine;1-methylpiperidine;2-methylpyrazine;5-methyl-1H-pyrazole;1-methylpyrazolidine;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;2-methyl-1H-pyrrole;2-methylquinazoline;2-methylquinoline;2-methylquinoxaline;2-methyl-1,3,4-thiadiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;2-methylthiophene;2-methyl-1,3,5-triazine;1-methyl-1,2,4-triazole
SMILESCC1CCOCO1.CC1CCOCO1.CC1COCCO1.CN1C=CCC1.CN1C=CCN1.CN1C=NCC1.CN1CCCCC1.CN1CCCN1.CN1CCNC1.CN1CCNCC1.CN1CCOCC1.Cc1[nH]nc2ccccc12.Cc1cc2ccccc2cn1.Cc1cc2ccccc2s1.Cc1ccc2c(c1)OCO2.Cc1ccc2ccccc2n1.Cc1ccc[nH]1.Cc1ccccn1.Cc1cccnn1.Cc1ccco1.Cc1cccs1.Cc1ccn[nH]1.Cc1ccno1.Cc1ccns1.Cc1cnc2ccccc2n1.Cc1cnc[nH]1.Cc1cnccn1.Cc1cnco1.Cc1cscn1.Cc1nc2ccccc2[nH]1.Cc1nc2ccccc2o1.Cc1nc2ccccc2s1.Cc1ncc2ccccc2n1.Cc1ncccn1.Cc1ncncn1.Cc1nncc2ccccc12.Cc1nnco1.Cc1nncs1.Cc1noc2ccccc12.Cn1cncn1
InChIInChI=1S/2C10H9N.3C9H8N2.C9H8S.2C8H8N2.2C8H7NO.C8H7NS.C8H8O2.C6H13N.C6H7N.C5H12N2.3C5H6N2.C5H11NO.C5H9N.C5H7N.3C5H10O2.C5H6O.C5H6S.C4H5N3.C4H6N2.C4H10N2.C4H8N2.C4H10N2.C4H8N2.C4H6N2.2C4H5NO.2C4H5NS.C3H5N3.C3H4N2O.C3H4N2S/c1-8-6-9-4-2-3-5-10(9)7-11-8;1-8-6-7-9-4-2-3-5-10(9)11-8;1-7-10-6-8-4-2-3-5-9(8)11-7;1-7-9-5-3-2-4-8(9)6-10-11-7;1-7-6-10-8-4-2-3-5-9(8)11-7;1-7-6-8-4-2-3-5-9(8)10-7;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;1-6-7-4-2-3-5-8(7)10-9-6;1-6-9-7-4-2-3-5-8(7)10-6;1-6-2-3-7-8(4-6)10-5-9-7;1-7-5-3-2-4-6-7;1-6-4-2-3-5-7-6;1-7-4-2-6-3-5-7;1-5-4-6-2-3-7-5;1-5-6-3-2-4-7-5;1-5-3-2-4-6-7-5;1-6-2-4-7-5-3-6;1-6-4-2-3-5-6;1-5-3-2-4-6-5;1-5-4-6-2-3-7-5;2*1-5-2-3-6-4-7-5;2*1-5-3-2-4-6-5;1-4-6-2-5-3-7-4;1-4-2-5-3-6-4;2*1-6-3-2-5-4-6;2*1-6-4-2-3-5-6;1-4-2-3-5-6-4;1-4-2-5-3-6-4;1-4-2-3-5-6-4;1-4-2-6-3-5-4;1-4-2-3-5-6-4;1-6-3-4-2-5-6;2*1-3-5-4-2-6-3/h2*2-7H,1H3;3*2-6H,1H3;2-6H,1H3;2*2-5H,1H3,(H,9,10);3*2-5H,1H3;2-4H,5H2,1H3;2-6H2,1H3;2-5H,1H3;6H,2-5H2,1H3;3*2-4H,1H3;2-5H2,1H3;2,4H,3,5H2,1H3;2-4,6H,1H3;3*5H,2-4H2,1H3;2*2-4H,1H3;2-3H,1H3;2-3H,1H3,(H,5,6);5H,2-4H2,1H3;4H,2-3H2,1H3;5H,2-4H2,1H3;2,4-5H,3H2,1H3;2-3H,1H3,(H,5,6);5*2-3H,1H3;2*2H,1H3
InChIKeyBSGCOMFBQTXZMS-UHFFFAOYSA-N
MW4241.68 g/mol
LogP45.28
Rot. Bonds

About 2-methyl-1H-benzimidazole;5-methyl-1,3-benzodioxole;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;1-methyl-4,5-dihydroimidazole;2-methyl-1,5-dihydropyrazole;1-methyl-2,3-dihydropyrrole;2-methyl-1,4-dioxane;bis(4-methyl-1,3-dioxane);2-methylfuran;5-methyl-1H-imidazole;1-methylimidazolidine;3-methyl-2H-indazole;3-methylisoquinoline;4-methylmorpholine;2-methyl-1,3,4-oxadiazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;1-methylphthalazine;1-methylpiperazine;1-methylpiperidine;2-methylpyrazine;5-methyl-1H-pyrazole;1-methylpyrazolidine;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;2-methyl-1H-pyrrole;2-methylquinazoline;2-methylquinoline;2-methylquinoxaline;2-methyl-1,3,4-thiadiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;2-methylthiophene;2-methyl-1,3,5-triazine;1-methyl-1,2,4-triazole

2-methyl-1H-benzimidazole;5-methyl-1,3-benzodioxole;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;1-methyl-4,5-dihydroimidazole;2-methyl-1,5-dihydropyrazole;1-methyl-2,3-dihydropyrrole;2-methyl-1,4-dioxane;bis(4-methyl-1,3-dioxane);2-methylfuran;5-methyl-1H-imidazole;1-methylimidazolidine;3-methyl-2H-indazole;3-methylisoquinoline;4-methylmorpholine;2-methyl-1,3,4-oxadiazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;1-methylphthalazine;1-methylpiperazine;1-methylpiperidine;2-methylpyrazine;5-methyl-1H-pyrazole;1-methylpyrazolidine;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;2-methyl-1H-pyrrole;2-methylquinazoline;2-methylquinoline;2-methylquinoxaline;2-methyl-1,3,4-thiadiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;2-methylthiophene;2-methyl-1,3,5-triazine;1-methyl-1,2,4-triazole (PubChem CID 157446176) has the molecular formula C229H300N54O15S6 and a molecular weight of 4241.68 g/mol. Its IUPAC name is 2-methyl-1H-benzimidazole;5-methyl-1,3-benzodioxole;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;1-methyl-4,5-dihydroimidazole;2-methyl-1,5-dihydropyrazole;1-methyl-2,3-dihydropyrrole;2-methyl-1,4-dioxane;bis(4-methyl-1,3-dioxane);2-methylfuran;5-methyl-1H-imidazole;1-methylimidazolidine;3-methyl-2H-indazole;3-methylisoquinoline;4-methylmorpholine;2-methyl-1,3,4-oxadiazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;1-methylphthalazine;1-methylpiperazine;1-methylpiperidine;2-methylpyrazine;5-methyl-1H-pyrazole;1-methylpyrazolidine;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;2-methyl-1H-pyrrole;2-methylquinazoline;2-methylquinoline;2-methylquinoxaline;2-methyl-1,3,4-thiadiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;2-methylthiophene;2-methyl-1,3,5-triazine;1-methyl-1,2,4-triazole.

Molecular Properties

Compound Name2-methyl-1H-benzimidazole;5-methyl-1,3-benzodioxole;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;1-methyl-4,5-dihydroimidazole;2-methyl-1,5-dihydropyrazole;1-methyl-2,3-dihydropyrrole;2-methyl-1,4-dioxane;bis(4-methyl-1,3-dioxane);2-methylfuran;5-methyl-1H-imidazole;1-methylimidazolidine;3-methyl-2H-indazole;3-methylisoquinoline;4-methylmorpholine;2-methyl-1,3,4-oxadiazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;1-methylphthalazine;1-methylpiperazine;1-methylpiperidine;2-methylpyrazine;5-methyl-1H-pyrazole;1-methylpyrazolidine;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;2-methyl-1H-pyrrole;2-methylquinazoline;2-methylquinoline;2-methylquinoxaline;2-methyl-1,3,4-thiadiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;2-methylthiophene;2-methyl-1,3,5-triazine;1-methyl-1,2,4-triazole
PubChem CID157446176
Molecular FormulaC229H300N54O15S6
Molecular Weight4241.68 g/mol
Exact Mass4238.27
IUPAC Name2-methyl-1H-benzimidazole;5-methyl-1,3-benzodioxole;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;1-methyl-4,5-dihydroimidazole;2-methyl-1,5-dihydropyrazole;1-methyl-2,3-dihydropyrrole;2-methyl-1,4-dioxane;bis(4-methyl-1,3-dioxane);2-methylfuran;5-methyl-1H-imidazole;1-methylimidazolidine;3-methyl-2H-indazole;3-methylisoquinoline;4-methylmorpholine;2-methyl-1,3,4-oxadiazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;1-methylphthalazine;1-methylpiperazine;1-methylpiperidine;2-methylpyrazine;5-methyl-1H-pyrazole;1-methylpyrazolidine;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;2-methyl-1H-pyrrole;2-methylquinazoline;2-methylquinoline;2-methylquinoxaline;2-methyl-1,3,4-thiadiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;2-methylthiophene;2-methyl-1,3,5-triazine;1-methyl-1,2,4-triazole
SMILESCC1CCOCO1.CC1CCOCO1.CC1COCCO1.CN1C=CCC1.CN1C=CCN1.CN1C=NCC1.CN1CCCCC1.CN1CCCN1.CN1CCNC1.CN1CCNCC1.CN1CCOCC1.Cc1[nH]nc2ccccc12.Cc1cc2ccccc2cn1.Cc1cc2ccccc2s1.Cc1ccc2c(c1)OCO2.Cc1ccc2ccccc2n1.Cc1ccc[nH]1.Cc1ccccn1.Cc1cccnn1.Cc1ccco1.Cc1cccs1.Cc1ccn[nH]1.Cc1ccno1.Cc1ccns1.Cc1cnc2ccccc2n1.Cc1cnc[nH]1.Cc1cnccn1.Cc1cnco1.Cc1cscn1.Cc1nc2ccccc2[nH]1.Cc1nc2ccccc2o1.Cc1nc2ccccc2s1.Cc1ncc2ccccc2n1.Cc1ncccn1.Cc1ncncn1.Cc1nncc2ccccc12.Cc1nnco1.Cc1nncs1.Cc1noc2ccccc12.Cn1cncn1
InChIInChI=1S/2C10H9N.3C9H8N2.C9H8S.2C8H8N2.2C8H7NO.C8H7NS.C8H8O2.C6H13N.C6H7N.C5H12N2.3C5H6N2.C5H11NO.C5H9N.C5H7N.3C5H10O2.C5H6O.C5H6S.C4H5N3.C4H6N2.C4H10N2.C4H8N2.C4H10N2.C4H8N2.C4H6N2.2C4H5NO.2C4H5NS.C3H5N3.C3H4N2O.C3H4N2S/c1-8-6-9-4-2-3-5-10(9)7-11-8;1-8-6-7-9-4-2-3-5-10(9)11-8;1-7-10-6-8-4-2-3-5-9(8)11-7;1-7-9-5-3-2-4-8(9)6-10-11-7;1-7-6-10-8-4-2-3-5-9(8)11-7;1-7-6-8-4-2-3-5-9(8)10-7;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;1-6-7-4-2-3-5-8(7)10-9-6;1-6-9-7-4-2-3-5-8(7)10-6;1-6-2-3-7-8(4-6)10-5-9-7;1-7-5-3-2-4-6-7;1-6-4-2-3-5-7-6;1-7-4-2-6-3-5-7;1-5-4-6-2-3-7-5;1-5-6-3-2-4-7-5;1-5-3-2-4-6-7-5;1-6-2-4-7-5-3-6;1-6-4-2-3-5-6;1-5-3-2-4-6-5;1-5-4-6-2-3-7-5;2*1-5-2-3-6-4-7-5;2*1-5-3-2-4-6-5;1-4-6-2-5-3-7-4;1-4-2-5-3-6-4;2*1-6-3-2-5-4-6;2*1-6-4-2-3-5-6;1-4-2-3-5-6-4;1-4-2-5-3-6-4;1-4-2-3-5-6-4;1-4-2-6-3-5-4;1-4-2-3-5-6-4;1-6-3-4-2-5-6;2*1-3-5-4-2-6-3/h2*2-7H,1H3;3*2-6H,1H3;2-6H,1H3;2*2-5H,1H3,(H,9,10);3*2-5H,1H3;2-4H,5H2,1H3;2-6H2,1H3;2-5H,1H3;6H,2-5H2,1H3;3*2-4H,1H3;2-5H2,1H3;2,4H,3,5H2,1H3;2-4,6H,1H3;3*5H,2-4H2,1H3;2*2-4H,1H3;2-3H,1H3;2-3H,1H3,(H,5,6);5H,2-4H2,1H3;4H,2-3H2,1H3;5H,2-4H2,1H3;2,4-5H,3H2,1H3;2-3H,1H3,(H,5,6);5*2-3H,1H3;2*2H,1H3
InChIKeyBSGCOMFBQTXZMS-UHFFFAOYSA-N
XLogP45.28
TPSA783.34 Ų
H-Bond Donors9
H-Bond Acceptors70
Rotatable Bonds
Heavy Atoms304
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004241.68
LogP ≤ 545.28
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1070

Analyze 2-methyl-1H-benzimidazole;5-methyl-1,3-benzodioxole;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;1-methyl-4,5-dihydroimidazole;2-methyl-1,5-dihydropyrazole;1-methyl-2,3-dihydropyrrole;2-methyl-1,4-dioxane;bis(4-methyl-1,3-dioxane);2-methylfuran;5-methyl-1H-imidazole;1-methylimidazolidine;3-methyl-2H-indazole;3-methylisoquinoline;4-methylmorpholine;2-methyl-1,3,4-oxadiazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;1-methylphthalazine;1-methylpiperazine;1-methylpiperidine;2-methylpyrazine;5-methyl-1H-pyrazole;1-methylpyrazolidine;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;2-methyl-1H-pyrrole;2-methylquinazoline;2-methylquinoline;2-methylquinoxaline;2-methyl-1,3,4-thiadiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;2-methylthiophene;2-methyl-1,3,5-triazine;1-methyl-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzene;1,3-benzodioxole;1,3-benzothiazole;1-benzothiophene;1,2,4-benzotriazine;cinnoline;cyclopenta-1,3-diene;2,2-difluoro-1,3-benzodioxole;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;1,4-dimethoxybenzene;ethane;furan;bis(1H-indole);1-methylimidazole;1-methylindole;4-methylmorpholine;1-methylpiperidine;5-methylpyrimidine;morpholine;oxane;1,3-oxazole;[1,3]oxazolo[4,5-c]pyridine;phenol;phenylmethanol;piperidine;pyridine;pyrimidine;quinazoline;quinoline;quinoxaline;thiane;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-c]pyridine;thiophene;triazine;1,3,5-triazine
CID 157051462
4-tert-butyl-2-methyl-1,3-thiazole;2,2-difluoro-5-methyl-1,3-benzodioxole;1,2-dimethylbenzimidazole;2-methyl-1H-benzimidazole;5-methyl-1,3-benzodioxole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole;2-methyl-5-phenyl-1,3,4-oxadiazole;2-methyl-4-phenyl-1,3-oxazole;2-methyl-5-phenyl-1,3-oxazole;5-methyl-1-phenyltetrazole;2-methyl-4-phenyl-1,3-thiazole;2-methyl-5-phenyl-1,3-thiazole;4-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)methyl]morpholine;5-methyl-3-phenyl-1H-1,2,4-triazole;2-methyl-5-(piperidin-1-ylmethyl)-1,3-thiazole;2-methyl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole;2-methyl-1,3-thiazole;4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine;4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine
CID 157257748
benzene;1,3-benzodioxole;1,3-benzothiazole;1-benzothiophene;1,2,4-benzotriazine;cinnoline;cyclopenta-1,3-diene;2,2-difluoro-1,3-benzodioxole;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;ethane;furan;bis(1H-indole);1-methoxy-4-methylbenzene;1-methylimidazole;1-methylindole;bis(1-methylpiperidine);5-methylpyrimidine;morpholine;oxane;1,3-oxazole;[1,3]oxazolo[4,5-c]pyridine;phenol;phenylmethanol;piperidine;pyridine;pyrimidine;quinazoline;quinoline;quinoxaline;thiane;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-c]pyridine;thiophene;1,2,4-triazine;1,3,5-triazine
CID 157327103
CID 157399908
CID 157399908
4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazol-2-amine;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-3-methyl-1,2-benzoxazole;4-tert-butyl-5-methyl-1H-indazole;8-tert-butylquinazoline;4-tert-butylquinoline
CID 157427896
benzene;1,3-benzodioxole;tris(1-benzothiophene);bis(cyclopenta-1,3-diene);2,2-difluoro-1,3-benzodioxole;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;ethane;furan;bis(1H-indole);methane;1-methylimidazole;1-methylindole;oxane;1,3-oxazole;[1,3]oxazolo[4,5-c]pyridine;phenol;phenylmethanol;bis(piperidine);pyridine;pyrimidine;quinazoline;quinoline;quinoxaline;thiane;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine;thieno[3,2-c]pyridine;1,2,4-triazine;1,3,5-triazine
CID 157505301
benzene;1,3-benzodioxole;1,3-benzothiazole;1-benzothiophene;1,2,4-benzotriazine;cinnoline;cyclopenta-1,3-diene;dibenzofuran;dibenzothiophene;2,2-difluoro-1,3-benzodioxole;2,3-dihydro-1,4-benzodioxine;ethane;9H-fluorene;furan;bis(1H-indole);1-methylimidazole;1-methylindole;morpholine;oxane;1,3-oxazole;[1,3]oxazolo[4,5-c]pyridine;phenol;phenylmethanol;piperidine;pyridine;pyrimidine;quinazoline;quinoline;thiane;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-c]pyridine;thiophene;triazine;1,3,5-triazine
CID 157518381
benzo[b][1,6]naphthyridine;1,3-benzothiazole;1-benzothiophene;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;2-methyl-1H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;bis(thieno[2,3-c]pyridine);thiophene;1,3,5-triazine;5-(trifluoromethyl)-1H-pyrazole
CID 158113572
5-(azepan-1-ylmethyl)-2-methyl-1,3-thiazole;4-tert-butyl-2-methyl-1,3-thiazole;2,2-difluoro-5-methyl-1,3-benzodioxole;1,2-dimethylbenzimidazole;2-methyl-1H-benzimidazole;5-methyl-1,3-benzodioxole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole;2-methyl-5-phenyl-1,3,4-oxadiazole;2-methyl-4-phenyl-1,3-oxazole;2-methyl-5-phenyl-1,3-oxazole;5-methyl-1-phenyltetrazole;2-methyl-4-phenyl-1,3-thiazole;2-methyl-5-phenyl-1,3-thiazole;4-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)methyl]morpholine;5-methyl-3-phenyl-1H-1,2,4-triazole;2-methyl-5-(piperidin-1-ylmethyl)-1,3-thiazole;2-methyl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole;2-methyl-1,3-thiazole;4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine;4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine
CID 158180810
CID 158239552
CID 158239552
CID 158395365
CID 158395365
benzene;1,3-benzodioxole;1,3-benzothiazole;1-benzothiophene;1,2,4-benzotriazine;cinnoline;cyclopenta-1,3-diene;dibenzofuran;2,2-difluoro-1,3-benzodioxole;2,3-dihydro-1,4-benzodioxine;ethane;9H-fluorene;furan;bis(1H-indole);1-methylimidazole;1-methylindole;morpholine;oxane;bis(1,3-oxazole);[1,3]oxazolo[4,5-c]pyridine;phenol;phenylmethanol;piperidine;pyridine;pyrimidine;quinazoline;quinoline;thiane;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-c]pyridine;thiophene;1,2,4-triazine;1,3,5-triazine
CID 158627228

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1H-benzimidazole;5-methyl-1,3-benzodioxole;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;1-methyl-4,5-dihydroimidazole;2-methyl-1,5-dihydropyrazole;1-methyl-2,3-dihydropyrrole;2-methyl-1,4-dioxane;bis(4-methyl-1,3-dioxane);2-methylfuran;5-methyl-1H-imidazole;1-methylimidazolidine;3-methyl-2H-indazole;3-methylisoquinoline;4-methylmorpholine;2-methyl-1,3,4-oxadiazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;1-methylphthalazine;1-methylpiperazine;1-methylpiperidine;2-methylpyrazine;5-methyl-1H-pyrazole;1-methylpyrazolidine;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;2-methyl-1H-pyrrole;2-methylquinazoline;2-methylquinoline;2-methylquinoxaline;2-methyl-1,3,4-thiadiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;2-methylthiophene;2-methyl-1,3,5-triazine;1-methyl-1,2,4-triazole?
The IUPAC name of 2-methyl-1H-benzimidazole;5-methyl-1,3-benzodioxole;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;1-methyl-4,5-dihydroimidazole;2-methyl-1,5-dihydropyrazole;1-methyl-2,3-dihydropyrrole;2-methyl-1,4-dioxane;bis(4-methyl-1,3-dioxane);2-methylfuran;5-methyl-1H-imidazole;1-methylimidazolidine;3-methyl-2H-indazole;3-methylisoquinoline;4-methylmorpholine;2-methyl-1,3,4-oxadiazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;1-methylphthalazine;1-methylpiperazine;1-methylpiperidine;2-methylpyrazine;5-methyl-1H-pyrazole;1-methylpyrazolidine;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;2-methyl-1H-pyrrole;2-methylquinazoline;2-methylquinoline;2-methylquinoxaline;2-methyl-1,3,4-thiadiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;2-methylthiophene;2-methyl-1,3,5-triazine;1-methyl-1,2,4-triazole (CID 157446176) is 2-methyl-1H-benzimidazole;5-methyl-1,3-benzodioxole;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;1-methyl-4,5-dihydroimidazole;2-methyl-1,5-dihydropyrazole;1-methyl-2,3-dihydropyrrole;2-methyl-1,4-dioxane;bis(4-methyl-1,3-dioxane);2-methylfuran;5-methyl-1H-imidazole;1-methylimidazolidine;3-methyl-2H-indazole;3-methylisoquinoline;4-methylmorpholine;2-methyl-1,3,4-oxadiazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;1-methylphthalazine;1-methylpiperazine;1-methylpiperidine;2-methylpyrazine;5-methyl-1H-pyrazole;1-methylpyrazolidine;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;2-methyl-1H-pyrrole;2-methylquinazoline;2-methylquinoline;2-methylquinoxaline;2-methyl-1,3,4-thiadiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;2-methylthiophene;2-methyl-1,3,5-triazine;1-methyl-1,2,4-triazole.
What is the SMILES notation for 2-methyl-1H-benzimidazole;5-methyl-1,3-benzodioxole;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;1-methyl-4,5-dihydroimidazole;2-methyl-1,5-dihydropyrazole;1-methyl-2,3-dihydropyrrole;2-methyl-1,4-dioxane;bis(4-methyl-1,3-dioxane);2-methylfuran;5-methyl-1H-imidazole;1-methylimidazolidine;3-methyl-2H-indazole;3-methylisoquinoline;4-methylmorpholine;2-methyl-1,3,4-oxadiazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;1-methylphthalazine;1-methylpiperazine;1-methylpiperidine;2-methylpyrazine;5-methyl-1H-pyrazole;1-methylpyrazolidine;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;2-methyl-1H-pyrrole;2-methylquinazoline;2-methylquinoline;2-methylquinoxaline;2-methyl-1,3,4-thiadiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;2-methylthiophene;2-methyl-1,3,5-triazine;1-methyl-1,2,4-triazole?
The canonical SMILES for 2-methyl-1H-benzimidazole;5-methyl-1,3-benzodioxole;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;1-methyl-4,5-dihydroimidazole;2-methyl-1,5-dihydropyrazole;1-methyl-2,3-dihydropyrrole;2-methyl-1,4-dioxane;bis(4-methyl-1,3-dioxane);2-methylfuran;5-methyl-1H-imidazole;1-methylimidazolidine;3-methyl-2H-indazole;3-methylisoquinoline;4-methylmorpholine;2-methyl-1,3,4-oxadiazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;1-methylphthalazine;1-methylpiperazine;1-methylpiperidine;2-methylpyrazine;5-methyl-1H-pyrazole;1-methylpyrazolidine;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;2-methyl-1H-pyrrole;2-methylquinazoline;2-methylquinoline;2-methylquinoxaline;2-methyl-1,3,4-thiadiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;2-methylthiophene;2-methyl-1,3,5-triazine;1-methyl-1,2,4-triazole is CC1CCOCO1.CC1CCOCO1.CC1COCCO1.CN1C=CCC1.CN1C=CCN1.CN1C=NCC1.CN1CCCCC1.CN1CCCN1.CN1CCNC1.CN1CCNCC1.CN1CCOCC1.Cc1[nH]nc2ccccc12.Cc1cc2ccccc2cn1.Cc1cc2ccccc2s1.Cc1ccc2c(c1)OCO2.Cc1ccc2ccccc2n1.Cc1ccc[nH]1.Cc1ccccn1.Cc1cccnn1.Cc1ccco1.Cc1cccs1.Cc1ccn[nH]1.Cc1ccno1.Cc1ccns1.Cc1cnc2ccccc2n1.Cc1cnc[nH]1.Cc1cnccn1.Cc1cnco1.Cc1cscn1.Cc1nc2ccccc2[nH]1.Cc1nc2ccccc2o1.Cc1nc2ccccc2s1.Cc1ncc2ccccc2n1.Cc1ncccn1.Cc1ncncn1.Cc1nncc2ccccc12.Cc1nnco1.Cc1nncs1.Cc1noc2ccccc12.Cn1cncn1.
What is the InChIKey of 2-methyl-1H-benzimidazole;5-methyl-1,3-benzodioxole;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;1-methyl-4,5-dihydroimidazole;2-methyl-1,5-dihydropyrazole;1-methyl-2,3-dihydropyrrole;2-methyl-1,4-dioxane;bis(4-methyl-1,3-dioxane);2-methylfuran;5-methyl-1H-imidazole;1-methylimidazolidine;3-methyl-2H-indazole;3-methylisoquinoline;4-methylmorpholine;2-methyl-1,3,4-oxadiazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;1-methylphthalazine;1-methylpiperazine;1-methylpiperidine;2-methylpyrazine;5-methyl-1H-pyrazole;1-methylpyrazolidine;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;2-methyl-1H-pyrrole;2-methylquinazoline;2-methylquinoline;2-methylquinoxaline;2-methyl-1,3,4-thiadiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;2-methylthiophene;2-methyl-1,3,5-triazine;1-methyl-1,2,4-triazole?
The InChIKey is BSGCOMFBQTXZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H9N.3C9H8N2.C9H8S.2C8H8N2.2C8H7NO.C8H7NS.C8H8O2.C6H13N.C6H7N.C5H12N2.3C5H6N2.C5H11NO.C5H9N.C5H7N.3C5H10O2.C5H6O.C5H6S.C4H5N3.C4H6N2.C4H10N2.C4H8N2.C4H10N2.C4H8N2.C4H6N2.2C4H5NO.2C4H5NS.C3H5N3.C3H4N2O.C3H4N2S/c1-8-6-9-4-2-3-5-10(9)7-11-8;1-8-6-7-9-4-2-3-5-10(9)11-8;1-7-10-6-8-4-2-3-5-9(8)11-7;1-7-9-5-3-2-4-8(9)6-10-11-7;1-7-6-10-8-4-2-3-5-9(8)11-7;1-7-6-8-4-2-3-5-9(8)10-7;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;1-6-7-4-2-3-5-8(7)10-9-6;1-6-9-7-4-2-3-5-8(7)10-6;1-6-2-3-7-8(4-6)10-5-9-7;1-7-5-3-2-4-6-7;1-6-4-2-3-5-7-6;1-7-4-2-6-3-5-7;1-5-4-6-2-3-7-5;1-5-6-3-2-4-7-5;1-5-3-2-4-6-7-5;1-6-2-4-7-5-3-6;1-6-4-2-3-5-6;1-5-3-2-4-6-5;1-5-4-6-2-3-7-5;2*1-5-2-3-6-4-7-5;2*1-5-3-2-4-6-5;1-4-6-2-5-3-7-4;1-4-2-5-3-6-4;2*1-6-3-2-5-4-6;2*1-6-4-2-3-5-6;1-4-2-3-5-6-4;1-4-2-5-3-6-4;1-4-2-3-5-6-4;1-4-2-6-3-5-4;1-4-2-3-5-6-4;1-6-3-4-2-5-6;2*1-3-5-4-2-6-3/h2*2-7H,1H3;3*2-6H,1H3;2-6H,1H3;2*2-5H,1H3,(H,9,10);3*2-5H,1H3;2-4H,5H2,1H3;2-6H2,1H3;2-5H,1H3;6H,2-5H2,1H3;3*2-4H,1H3;2-5H2,1H3;2,4H,3,5H2,1H3;2-4,6H,1H3;3*5H,2-4H2,1H3;2*2-4H,1H3;2-3H,1H3;2-3H,1H3,(H,5,6);5H,2-4H2,1H3;4H,2-3H2,1H3;5H,2-4H2,1H3;2,4-5H,3H2,1H3;2-3H,1H3,(H,5,6);5*2-3H,1H3;2*2H,1H3.
What are the key properties of 2-methyl-1H-benzimidazole;5-methyl-1,3-benzodioxole;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;1-methyl-4,5-dihydroimidazole;2-methyl-1,5-dihydropyrazole;1-methyl-2,3-dihydropyrrole;2-methyl-1,4-dioxane;bis(4-methyl-1,3-dioxane);2-methylfuran;5-methyl-1H-imidazole;1-methylimidazolidine;3-methyl-2H-indazole;3-methylisoquinoline;4-methylmorpholine;2-methyl-1,3,4-oxadiazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;1-methylphthalazine;1-methylpiperazine;1-methylpiperidine;2-methylpyrazine;5-methyl-1H-pyrazole;1-methylpyrazolidine;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;2-methyl-1H-pyrrole;2-methylquinazoline;2-methylquinoline;2-methylquinoxaline;2-methyl-1,3,4-thiadiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;2-methylthiophene;2-methyl-1,3,5-triazine;1-methyl-1,2,4-triazole?
2-methyl-1H-benzimidazole;5-methyl-1,3-benzodioxole;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;1-methyl-4,5-dihydroimidazole;2-methyl-1,5-dihydropyrazole;1-methyl-2,3-dihydropyrrole;2-methyl-1,4-dioxane;bis(4-methyl-1,3-dioxane);2-methylfuran;5-methyl-1H-imidazole;1-methylimidazolidine;3-methyl-2H-indazole;3-methylisoquinoline;4-methylmorpholine;2-methyl-1,3,4-oxadiazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;1-methylphthalazine;1-methylpiperazine;1-methylpiperidine;2-methylpyrazine;5-methyl-1H-pyrazole;1-methylpyrazolidine;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;2-methyl-1H-pyrrole;2-methylquinazoline;2-methylquinoline;2-methylquinoxaline;2-methyl-1,3,4-thiadiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;2-methylthiophene;2-methyl-1,3,5-triazine;1-methyl-1,2,4-triazole has a molecular weight of 4241.68 g/mol, XLogP of 45.28, 0 rotatable bonds, 9 hydrogen bond donors, and 70 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1H-benzimidazole;5-methyl-1,3-benzodioxole;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;1-methyl-4,5-dihydroimidazole;2-methyl-1,5-dihydropyrazole;1-methyl-2,3-dihydropyrrole;2-methyl-1,4-dioxane;bis(4-methyl-1,3-dioxane);2-methylfuran;5-methyl-1H-imidazole;1-methylimidazolidine;3-methyl-2H-indazole;3-methylisoquinoline;4-methylmorpholine;2-methyl-1,3,4-oxadiazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;1-methylphthalazine;1-methylpiperazine;1-methylpiperidine;2-methylpyrazine;5-methyl-1H-pyrazole;1-methylpyrazolidine;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;2-methyl-1H-pyrrole;2-methylquinazoline;2-methylquinoline;2-methylquinoxaline;2-methyl-1,3,4-thiadiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;2-methylthiophene;2-methyl-1,3,5-triazine;1-methyl-1,2,4-triazole is sourced from PubChem (CID 157446176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).