1,2-dimethylbenzimidazole;2,3-dimethylimidazo[4,5-b]pyridine;ethane;methane;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-[1,3]oxazolo[5,4-b]pyridine;2-methyl-[1,3]thiazolo[5,4-b]pyridine;2-methyltriazolo[4,5-b]pyridine;2-methyltriazolo[4,5-d]pyrimidine

C81H132N20O2S2 — CID 157338423

IUPAC1,2-dimethylbenzimidazole;2,3-dimethylimidazo[4,5-b]pyridine;ethane;methane;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-[1,3]oxazolo[5,4-b]pyridine;2-methyl-[1,3]thiazolo[5,4-b]pyridine;2-methyltriazolo[4,5-b]pyridine;2-methyltriazolo[4,5-d]pyrimidine
SMILESC.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.Cc1nc2ccccc2n1C.Cc1nc2ccccc2o1.Cc1nc2ccccc2s1.Cc1nc2cccnc2n1C.Cc1nc2cccnc2o1.Cc1nc2cccnc2s1.Cn1nc2cccnc2n1.Cn1nc2cncnc2n1
InChIInChI=1S/C9H10N2.C8H9N3.C8H7NO.C8H7NS.C7H6N2O.C7H6N2S.C6H6N4.C5H5N5.8C2H6.7CH4/c1-7-10-8-5-3-4-6-9(8)11(7)2;1-6-10-7-4-3-5-9-8(7)11(6)2;2*1-6-9-7-4-2-3-5-8(7)10-6;2*1-5-9-6-3-2-4-8-7(6)10-5;1-10-8-5-3-2-4-7-6(5)9-10;1-10-8-4-2-6-3-7-5(4)9-10;8*1-2;;;;;;;/h3-6H,1-2H3;3-5H,1-2H3;2*2-5H,1H3;3*2-4H,1H3;2-3H,1H3;8*1-2H3;7*1H4
InChIKeyBGCMWAVNUOOGML-UHFFFAOYSA-N
MW1482.22 g/mol
LogP24.21
Rot. Bonds

About 1,2-dimethylbenzimidazole;2,3-dimethylimidazo[4,5-b]pyridine;ethane;methane;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-[1,3]oxazolo[5,4-b]pyridine;2-methyl-[1,3]thiazolo[5,4-b]pyridine;2-methyltriazolo[4,5-b]pyridine;2-methyltriazolo[4,5-d]pyrimidine

1,2-dimethylbenzimidazole;2,3-dimethylimidazo[4,5-b]pyridine;ethane;methane;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-[1,3]oxazolo[5,4-b]pyridine;2-methyl-[1,3]thiazolo[5,4-b]pyridine;2-methyltriazolo[4,5-b]pyridine;2-methyltriazolo[4,5-d]pyrimidine (PubChem CID 157338423) has the molecular formula C81H132N20O2S2 and a molecular weight of 1482.22 g/mol. Its IUPAC name is 1,2-dimethylbenzimidazole;2,3-dimethylimidazo[4,5-b]pyridine;ethane;methane;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-[1,3]oxazolo[5,4-b]pyridine;2-methyl-[1,3]thiazolo[5,4-b]pyridine;2-methyltriazolo[4,5-b]pyridine;2-methyltriazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name1,2-dimethylbenzimidazole;2,3-dimethylimidazo[4,5-b]pyridine;ethane;methane;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-[1,3]oxazolo[5,4-b]pyridine;2-methyl-[1,3]thiazolo[5,4-b]pyridine;2-methyltriazolo[4,5-b]pyridine;2-methyltriazolo[4,5-d]pyrimidine
PubChem CID157338423
Molecular FormulaC81H132N20O2S2
Molecular Weight1482.22 g/mol
Exact Mass1481.03
IUPAC Name1,2-dimethylbenzimidazole;2,3-dimethylimidazo[4,5-b]pyridine;ethane;methane;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-[1,3]oxazolo[5,4-b]pyridine;2-methyl-[1,3]thiazolo[5,4-b]pyridine;2-methyltriazolo[4,5-b]pyridine;2-methyltriazolo[4,5-d]pyrimidine
SMILESC.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.Cc1nc2ccccc2n1C.Cc1nc2ccccc2o1.Cc1nc2ccccc2s1.Cc1nc2cccnc2n1C.Cc1nc2cccnc2o1.Cc1nc2cccnc2s1.Cn1nc2cccnc2n1.Cn1nc2cncnc2n1
InChIInChI=1S/C9H10N2.C8H9N3.C8H7NO.C8H7NS.C7H6N2O.C7H6N2S.C6H6N4.C5H5N5.8C2H6.7CH4/c1-7-10-8-5-3-4-6-9(8)11(7)2;1-6-10-7-4-3-5-9-8(7)11(6)2;2*1-6-9-7-4-2-3-5-8(7)10-6;2*1-5-9-6-3-2-4-8-7(6)10-5;1-10-8-5-3-2-4-7-6(5)9-10;1-10-8-4-2-6-3-7-5(4)9-10;8*1-2;;;;;;;/h3-6H,1-2H3;3-5H,1-2H3;2*2-5H,1H3;3*2-4H,1H3;2-3H,1H3;8*1-2H3;7*1H4
InChIKeyBGCMWAVNUOOGML-UHFFFAOYSA-N
XLogP24.21
TPSA252.24 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001482.22
LogP ≤ 524.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 1,2-dimethylbenzimidazole;2,3-dimethylimidazo[4,5-b]pyridine;ethane;methane;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-[1,3]oxazolo[5,4-b]pyridine;2-methyl-[1,3]thiazolo[5,4-b]pyridine;2-methyltriazolo[4,5-b]pyridine;2-methyltriazolo[4,5-d]pyrimidine 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

Dialuminum;trigallium;[2-(1,3-benzothiazol-2-yl)phenyl]-methylsulfonylazanide;[2-(1,3-benzoxazol-2-yl)phenyl]-pyrazin-2-ylazanide;7-(3-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(4-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;2-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-olate
CID 157760113
5-Tert-butyl-3-fluoro-2-methylpyrazolo[1,5-a]pyridine;3-tert-butylimidazo[1,2-a]pyrazine;5-tert-butylpyrazolo[1,5-a]pyrimidine;7-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;bis(2,2-dimethylpropane);2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-ylimidazo[1,2-a]pyrazine
CID 158049358
2,3-dimethyl-1,3-benzothiazol-3-ium;2,3-dimethyl-2H-1,3-benzoxazole;2,3-dimethyl-1,3-oxazol-3-ium;1,2-dimethylpyrimidin-1-ium;1,2-dimethyl-5-(trifluoromethyl)pyridin-1-ium;3-methyldithiol-1-ium;2-methyl-1,3-oxazole;2-methylpyrylium;2-methylthiopyrylium;1,2,3-trimethylbenzimidazol-3-ium;1,2,3-trimethyl-2H-imidazole-1,3-diium;1,2,3-trimethylpyrazol-1-ium;1,4,5-trimethyl-1,2,4-triazol-4-ium
CID 160116091
5-Tert-butyl-3-fluoro-2-methylpyrazolo[1,5-a]pyridine;3-tert-butylimidazo[1,2-a]pyrazine;6-tert-butylimidazo[1,2-a]pyrazine;5-tert-butylpyrazolo[1,5-a]pyrimidine;6-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;bis(2,2-dimethylpropane);2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
CID 160389507
Heptakis(2-[3-[2-(2,6-dimethylphenyl)phenyl]benzene-6-id-1-yl]pyridine);2-[3-[2-(2,6-dimethylphenyl)-4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)phenyl]benzene-6-id-1-yl]pyridine;octakis(iridium);2-phenyl-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-1,3-benzothiazole;1-phenyl-2-phenylbenzimidazole;2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;4-phenylpyrimidine
CID 160721412
2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;2-tert-butyl-5-cyclopropyl-1,3,4-thiadiazole;5-tert-butyl-3-cyclopropyl-1,2,4-thiadiazole;2-tert-butyl-4-cyclopropyl-1,3-thiazole;bis(2-tert-butyl-4,5-dimethyl-1,3-thiazole);bis(2-tert-butyl-5-methyl-1,3,4-thiadiazole);tetrakis(5-tert-butyl-3-methyl-1,2,4-thiadiazole);2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;2-tert-butyl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 161707320
N-(1,3-benzothiazol-2-ylmethyl)-1-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanamine;1-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N-methyl-N-(pyridin-2-ylmethyl)methanamine;[6-[N-(1,3-benzoxazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanol;2-[[2-[N-(1,3-benzoxazol-2-ylmethyl)-C-methylcarbonimidoyl]-4-pyridinyl]oxy]-N,N-dimethylethanamine;N-methyl-2-[2-[(1-pyridin-2-ylethylideneamino)methyl]benzimidazol-1-yl]ethanamine;1-pyridin-2-yl-N-([1,3]thiazolo[5,4-c]pyridin-2-ylmethyl)ethanimine
CID 157054867
2-isoquinolin-1-yl-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-benzo[b][1]benzazepin-1-ide;2-isoquinolin-3-yl-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-benzo[b][1]benzazepin-1-ide;2-(1-methylbenzimidazol-2-yl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-benzo[b][1]benzazepin-1-ide;hexakis(platinum(2+));2-pyrazol-1-yl-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-benzo[b][1]benzazepin-1-ide;2-[11-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-benzo[b][1]benzazepin-1-id-2-yl]-1,3-benzothiazole;2-[11-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-benzo[b][1]benzazepin-1-id-2-yl]-1,3-benzoxazole
CID 157058840
2,5-Dimethylfuran;1,5-dimethylpyrazole;1,2-dimethylpyrrole;2-methylfuran;2-methyl-1,3-oxazole;2-methylpyrazine;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole
CID 157063733
4-(4-Methyl-3-pyridinyl)-3-phenyl-3,5,8,9-tetrazatricyclo[6.4.0.02,6]dodeca-1,4,6,9,11-pentaene;11-methyl-1,4,5,15-tetraza-11-azoniapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-2,5,7,9,11,13(18),14,16-octaene;11-oxa-4,5,15-triaza-1-azoniapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2,5,7,9,13(18),14,16-octaene;11-thia-4,8,15-triaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene;11-(trideuteriomethyl)-1,4,5,15-tetraza-11-azoniapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-2,5,7,9,11,13(18),14,16-octaene
CID 157068453
1-benzofuran;1,3-benzothiazole;1-benzothiophene;2H-benzotriazole;1,3-benzoxazole;ethane;imidazo[1,2-a]pyridine;1H-indazole;1H-indole;pyrazolo[1,5-a]pyridine;1H-pyrazolo[3,4-b]pyrazine;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;1H-pyrazolo[4,5-c]pyridine;1H-pyrazolo[5,4-c]pyridine;1H-pyrazolo[3,4-d]pyrimidine;1H-pyrazolo[4,3-d]pyrimidine;5H-pyrrolo[2,3-b]pyrazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-triazolo[4,5-b]pyrazine;2H-triazolo[4,5-b]pyridine;2H-triazolo[4,5-c]pyridine;2H-triazolo[4,5-d]pyrimidine
CID 157069338
2-Methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;5-methylthiadiazole;2-methyl-1,3-thiazole
CID 157071653

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylbenzimidazole;2,3-dimethylimidazo[4,5-b]pyridine;ethane;methane;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-[1,3]oxazolo[5,4-b]pyridine;2-methyl-[1,3]thiazolo[5,4-b]pyridine;2-methyltriazolo[4,5-b]pyridine;2-methyltriazolo[4,5-d]pyrimidine?
The IUPAC name of 1,2-dimethylbenzimidazole;2,3-dimethylimidazo[4,5-b]pyridine;ethane;methane;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-[1,3]oxazolo[5,4-b]pyridine;2-methyl-[1,3]thiazolo[5,4-b]pyridine;2-methyltriazolo[4,5-b]pyridine;2-methyltriazolo[4,5-d]pyrimidine (CID 157338423) is 1,2-dimethylbenzimidazole;2,3-dimethylimidazo[4,5-b]pyridine;ethane;methane;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-[1,3]oxazolo[5,4-b]pyridine;2-methyl-[1,3]thiazolo[5,4-b]pyridine;2-methyltriazolo[4,5-b]pyridine;2-methyltriazolo[4,5-d]pyrimidine.
What is the SMILES notation for 1,2-dimethylbenzimidazole;2,3-dimethylimidazo[4,5-b]pyridine;ethane;methane;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-[1,3]oxazolo[5,4-b]pyridine;2-methyl-[1,3]thiazolo[5,4-b]pyridine;2-methyltriazolo[4,5-b]pyridine;2-methyltriazolo[4,5-d]pyrimidine?
The canonical SMILES for 1,2-dimethylbenzimidazole;2,3-dimethylimidazo[4,5-b]pyridine;ethane;methane;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-[1,3]oxazolo[5,4-b]pyridine;2-methyl-[1,3]thiazolo[5,4-b]pyridine;2-methyltriazolo[4,5-b]pyridine;2-methyltriazolo[4,5-d]pyrimidine is C.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.Cc1nc2ccccc2n1C.Cc1nc2ccccc2o1.Cc1nc2ccccc2s1.Cc1nc2cccnc2n1C.Cc1nc2cccnc2o1.Cc1nc2cccnc2s1.Cn1nc2cccnc2n1.Cn1nc2cncnc2n1.
What is the InChIKey of 1,2-dimethylbenzimidazole;2,3-dimethylimidazo[4,5-b]pyridine;ethane;methane;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-[1,3]oxazolo[5,4-b]pyridine;2-methyl-[1,3]thiazolo[5,4-b]pyridine;2-methyltriazolo[4,5-b]pyridine;2-methyltriazolo[4,5-d]pyrimidine?
The InChIKey is BGCMWAVNUOOGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2.C8H9N3.C8H7NO.C8H7NS.C7H6N2O.C7H6N2S.C6H6N4.C5H5N5.8C2H6.7CH4/c1-7-10-8-5-3-4-6-9(8)11(7)2;1-6-10-7-4-3-5-9-8(7)11(6)2;2*1-6-9-7-4-2-3-5-8(7)10-6;2*1-5-9-6-3-2-4-8-7(6)10-5;1-10-8-5-3-2-4-7-6(5)9-10;1-10-8-4-2-6-3-7-5(4)9-10;8*1-2;;;;;;;/h3-6H,1-2H3;3-5H,1-2H3;2*2-5H,1H3;3*2-4H,1H3;2-3H,1H3;8*1-2H3;7*1H4.
What are the key properties of 1,2-dimethylbenzimidazole;2,3-dimethylimidazo[4,5-b]pyridine;ethane;methane;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-[1,3]oxazolo[5,4-b]pyridine;2-methyl-[1,3]thiazolo[5,4-b]pyridine;2-methyltriazolo[4,5-b]pyridine;2-methyltriazolo[4,5-d]pyrimidine?
1,2-dimethylbenzimidazole;2,3-dimethylimidazo[4,5-b]pyridine;ethane;methane;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-[1,3]oxazolo[5,4-b]pyridine;2-methyl-[1,3]thiazolo[5,4-b]pyridine;2-methyltriazolo[4,5-b]pyridine;2-methyltriazolo[4,5-d]pyrimidine has a molecular weight of 1482.22 g/mol, XLogP of 24.21, 0 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylbenzimidazole;2,3-dimethylimidazo[4,5-b]pyridine;ethane;methane;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-[1,3]oxazolo[5,4-b]pyridine;2-methyl-[1,3]thiazolo[5,4-b]pyridine;2-methyltriazolo[4,5-b]pyridine;2-methyltriazolo[4,5-d]pyrimidine is sourced from PubChem (CID 157338423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).