1,2-dimethylimidazole;bis(2-methyl-1H-benzimidazole);2-methyl-1-benzofuran;3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;bis(1-methylimidazole);2-methyl-1H-indole;3-methyl-1H-indole;3-methylisoquinoline;5-methylisoquinoline;3-methylpyrazino[2,3-b]pyrazine;1-methylpyrazole;4-methyl-2H-pyrrole;2-methylquinazoline;2-methylquinoline;bis(3-methylquinoline);4-methylquinoline;5-methylquinoline;2-methylquinoxaline;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;2-methylthiophene;2-methylthiophene 1-oxide;3-methylthiophene 1-oxide

C226H226N34O5S8 — CID 161462035

IUPAC1,2-dimethylimidazole;bis(2-methyl-1H-benzimidazole);2-methyl-1-benzofuran;3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;bis(1-methylimidazole);2-methyl-1H-indole;3-methyl-1H-indole;3-methylisoquinoline;5-methylisoquinoline;3-methylpyrazino[2,3-b]pyrazine;1-methylpyrazole;4-methyl-2H-pyrrole;2-methylquinazoline;2-methylquinoline;bis(3-methylquinoline);4-methylquinoline;5-methylquinoline;2-methylquinoxaline;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;2-methylthiophene;2-methylthiophene 1-oxide;3-methylthiophene 1-oxide
SMILESCC1=CC=CS1=O.CC1=CCN=C1.CC1=CS(=O)C=C1.Cc1c[nH]c2ccccc12.Cc1cc2ccccc2[nH]1.Cc1cc2ccccc2cn1.Cc1cc2ccccc2o1.Cc1cc2ccccc2s1.Cc1ccc2ccccc2n1.Cc1cccc2cnccc12.Cc1cccc2ncccc12.Cc1cccs1.Cc1ccnc2ccccc12.Cc1ccsn1.Cc1cnc2ccccc2c1.Cc1cnc2ccccc2c1.Cc1cnc2ccccc2n1.Cc1cnc2nccnc2n1.Cc1coc2ccccc12.Cc1csc2ccccc12.Cc1nc2ccccc2[nH]1.Cc1nc2ccccc2[nH]1.Cc1nc2ccccc2o1.Cc1nc2ccccc2s1.Cc1ncc2ccccc2n1.Cc1nccn1C.Cc1nccs1.Cn1cccn1.Cn1ccnc1.Cn1ccnc1
InChIInChI=1S/7C10H9N.2C9H8N2.2C9H9N.2C9H8O.2C9H8S.2C8H8N2.C8H7NO.C8H7NS.C7H6N4.C5H8N2.C5H7N.2C5H6OS.C5H6S.3C4H6N2.2C4H5NS/c1-8-4-2-6-10-9(8)5-3-7-11-10;1-8-3-2-4-9-7-11-6-5-10(8)9;1-8-6-9-4-2-3-5-10(9)7-11-8;2*1-8-6-9-4-2-3-5-10(9)11-7-8;1-8-6-7-11-10-5-3-2-4-9(8)10;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;1-7-6-10-8-4-2-3-5-9(8)11-7;1-7-6-10-9-5-3-2-4-8(7)9;1-7-6-8-4-2-3-5-9(8)10-7;1-7-6-10-9-5-3-2-4-8(7)9;1-7-6-8-4-2-3-5-9(8)10-7;1-7-6-10-9-5-3-2-4-8(7)9;1-7-6-8-4-2-3-5-9(8)10-7;4*1-6-9-7-4-2-3-5-8(7)10-6;1-5-4-10-6-7(11-5)9-3-2-8-6;1-5-6-3-4-7(5)2;1-5-2-3-6-4-5;1-5-2-3-7(6)4-5;1-5-3-2-4-7(5)6;1-5-3-2-4-6-5;2*1-6-3-2-5-4-6;1-6-4-2-3-5-6;1-4-5-2-3-6-4;1-4-2-3-6-5-4/h7*2-7H,1H3;2*2-6H,1H3;2*2-6,10H,1H3;4*2-6H,1H3;2*2-5H,1H3,(H,9,10);2*2-5H,1H3;2-4H,1H3;3-4H,1-2H3;2,4H,3H2,1H3;2*2-4H,1H3;4*2-4H,1H3;2*2-3H,1H3
InChIKeyWBYDDBMLVSHJTB-UHFFFAOYSA-N
MW3755.06 g/mol
LogP58.04
Rot. Bonds

About 1,2-dimethylimidazole;bis(2-methyl-1H-benzimidazole);2-methyl-1-benzofuran;3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;bis(1-methylimidazole);2-methyl-1H-indole;3-methyl-1H-indole;3-methylisoquinoline;5-methylisoquinoline;3-methylpyrazino[2,3-b]pyrazine;1-methylpyrazole;4-methyl-2H-pyrrole;2-methylquinazoline;2-methylquinoline;bis(3-methylquinoline);4-methylquinoline;5-methylquinoline;2-methylquinoxaline;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;2-methylthiophene;2-methylthiophene 1-oxide;3-methylthiophene 1-oxide

1,2-dimethylimidazole;bis(2-methyl-1H-benzimidazole);2-methyl-1-benzofuran;3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;bis(1-methylimidazole);2-methyl-1H-indole;3-methyl-1H-indole;3-methylisoquinoline;5-methylisoquinoline;3-methylpyrazino[2,3-b]pyrazine;1-methylpyrazole;4-methyl-2H-pyrrole;2-methylquinazoline;2-methylquinoline;bis(3-methylquinoline);4-methylquinoline;5-methylquinoline;2-methylquinoxaline;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;2-methylthiophene;2-methylthiophene 1-oxide;3-methylthiophene 1-oxide (PubChem CID 161462035) has the molecular formula C226H226N34O5S8 and a molecular weight of 3755.06 g/mol. Its IUPAC name is 1,2-dimethylimidazole;bis(2-methyl-1H-benzimidazole);2-methyl-1-benzofuran;3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;bis(1-methylimidazole);2-methyl-1H-indole;3-methyl-1H-indole;3-methylisoquinoline;5-methylisoquinoline;3-methylpyrazino[2,3-b]pyrazine;1-methylpyrazole;4-methyl-2H-pyrrole;2-methylquinazoline;2-methylquinoline;bis(3-methylquinoline);4-methylquinoline;5-methylquinoline;2-methylquinoxaline;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;2-methylthiophene;2-methylthiophene 1-oxide;3-methylthiophene 1-oxide.

Molecular Properties

Compound Name1,2-dimethylimidazole;bis(2-methyl-1H-benzimidazole);2-methyl-1-benzofuran;3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;bis(1-methylimidazole);2-methyl-1H-indole;3-methyl-1H-indole;3-methylisoquinoline;5-methylisoquinoline;3-methylpyrazino[2,3-b]pyrazine;1-methylpyrazole;4-methyl-2H-pyrrole;2-methylquinazoline;2-methylquinoline;bis(3-methylquinoline);4-methylquinoline;5-methylquinoline;2-methylquinoxaline;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;2-methylthiophene;2-methylthiophene 1-oxide;3-methylthiophene 1-oxide
PubChem CID161462035
Molecular FormulaC226H226N34O5S8
Molecular Weight3755.06 g/mol
Exact Mass3751.62
IUPAC Name1,2-dimethylimidazole;bis(2-methyl-1H-benzimidazole);2-methyl-1-benzofuran;3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;bis(1-methylimidazole);2-methyl-1H-indole;3-methyl-1H-indole;3-methylisoquinoline;5-methylisoquinoline;3-methylpyrazino[2,3-b]pyrazine;1-methylpyrazole;4-methyl-2H-pyrrole;2-methylquinazoline;2-methylquinoline;bis(3-methylquinoline);4-methylquinoline;5-methylquinoline;2-methylquinoxaline;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;2-methylthiophene;2-methylthiophene 1-oxide;3-methylthiophene 1-oxide
SMILESCC1=CC=CS1=O.CC1=CCN=C1.CC1=CS(=O)C=C1.Cc1c[nH]c2ccccc12.Cc1cc2ccccc2[nH]1.Cc1cc2ccccc2cn1.Cc1cc2ccccc2o1.Cc1cc2ccccc2s1.Cc1ccc2ccccc2n1.Cc1cccc2cnccc12.Cc1cccc2ncccc12.Cc1cccs1.Cc1ccnc2ccccc12.Cc1ccsn1.Cc1cnc2ccccc2c1.Cc1cnc2ccccc2c1.Cc1cnc2ccccc2n1.Cc1cnc2nccnc2n1.Cc1coc2ccccc12.Cc1csc2ccccc12.Cc1nc2ccccc2[nH]1.Cc1nc2ccccc2[nH]1.Cc1nc2ccccc2o1.Cc1nc2ccccc2s1.Cc1ncc2ccccc2n1.Cc1nccn1C.Cc1nccs1.Cn1cccn1.Cn1ccnc1.Cn1ccnc1
InChIInChI=1S/7C10H9N.2C9H8N2.2C9H9N.2C9H8O.2C9H8S.2C8H8N2.C8H7NO.C8H7NS.C7H6N4.C5H8N2.C5H7N.2C5H6OS.C5H6S.3C4H6N2.2C4H5NS/c1-8-4-2-6-10-9(8)5-3-7-11-10;1-8-3-2-4-9-7-11-6-5-10(8)9;1-8-6-9-4-2-3-5-10(9)7-11-8;2*1-8-6-9-4-2-3-5-10(9)11-7-8;1-8-6-7-11-10-5-3-2-4-9(8)10;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;1-7-6-10-8-4-2-3-5-9(8)11-7;1-7-6-10-9-5-3-2-4-8(7)9;1-7-6-8-4-2-3-5-9(8)10-7;1-7-6-10-9-5-3-2-4-8(7)9;1-7-6-8-4-2-3-5-9(8)10-7;1-7-6-10-9-5-3-2-4-8(7)9;1-7-6-8-4-2-3-5-9(8)10-7;4*1-6-9-7-4-2-3-5-8(7)10-6;1-5-4-10-6-7(11-5)9-3-2-8-6;1-5-6-3-4-7(5)2;1-5-2-3-6-4-5;1-5-2-3-7(6)4-5;1-5-3-2-4-7(5)6;1-5-3-2-4-6-5;2*1-6-3-2-5-4-6;1-6-4-2-3-5-6;1-4-5-2-3-6-4;1-4-2-3-6-5-4/h7*2-7H,1H3;2*2-6H,1H3;2*2-6,10H,1H3;4*2-6H,1H3;2*2-5H,1H3,(H,9,10);2*2-5H,1H3;2-4H,1H3;3-4H,1-2H3;2,4H,3H2,1H3;2*2-4H,1H3;4*2-4H,1H3;2*2-3H,1H3
InChIKeyWBYDDBMLVSHJTB-UHFFFAOYSA-N
XLogP58.04
TPSA491.05 Ų
H-Bond Donors4
H-Bond Acceptors41
Rotatable Bonds
Heavy Atoms273
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003755.06
LogP ≤ 558.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1041

Analyze 1,2-dimethylimidazole;bis(2-methyl-1H-benzimidazole);2-methyl-1-benzofuran;3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;bis(1-methylimidazole);2-methyl-1H-indole;3-methyl-1H-indole;3-methylisoquinoline;5-methylisoquinoline;3-methylpyrazino[2,3-b]pyrazine;1-methylpyrazole;4-methyl-2H-pyrrole;2-methylquinazoline;2-methylquinoline;bis(3-methylquinoline);4-methylquinoline;5-methylquinoline;2-methylquinoxaline;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;2-methylthiophene;2-methylthiophene 1-oxide;3-methylthiophene 1-oxide with MolForge

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Related Compounds

1,2-benzoxazole;3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;3-methyl-1-benzothiophene;4-methylchromen-2-one;2-methylisoindole-1,3-dione;2-methylquinoline;2-methylquinoxaline;quinoxaline
CID 157147527
2-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;3-methylcinnoline;2-methylfuran;2-methyl-3H-indole;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;2-methylpyrazine;5-methyl-1H-pyrazole;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;2-methyl-1H-pyrrole;bis(2-methyl-3H-pyrrole);2-methylquinoline;2-methylquinoxaline;5-methyl-2H-tetrazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;2-methyl-1,3,5-triazine;3-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine;4-methyl-2H-triazole
CID 162135090
1,2-dimethylimidazole;bis(1,4-dimethylimidazole);1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,2-dimethylpyrrole;bis(1,3-dimethylpyrrole);3-methylfuran;1-methylimidazole;bis(2-methyl-1H-imidazole);2-methyl-4H-imidazole;bis(4-methyl-2H-imidazole);3-methyl-1-methylidenethiophene;3-methyl-1,2,4-oxadiazole;5-methyl-1,2,4-oxadiazole;bis(2-methyl-1,3-oxazole);5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;1-methylpyrrole;4-methyl-2H-pyrrole;5-methyl-2H-pyrrole;bis(5-methyl-3H-pyrrole);tris(2-methyl-1,3-thiazole);3-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene
CID 167548631
hexane;methane;1-methyladamantane;2-methyladamantane;1-methylazetidine;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;(1S)-1-methylbicyclo[3.2.1]octane;3-methylbicyclo[3.2.1]octane;methylcyclobutane;methylcyclohexane;methylcyclopentane;methylcyclopropane;2-methyl-1H-indole;1-methylisoquinoline;4-methylmorpholine;1-methylnaphthalene;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpiperidine;2-methylpropane;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;1-methylpyrrolidine;2-methylquinazoline;2-methyl-1,3-thiazole;2-methylthiophene;toluene
CID 160905964
bis(2-methylcyclopenta-1,3-diene);bis(2-methylfuran);3-methylfuran;bis(2-methyl-1H-imidazole);bis(2-methyl-4H-imidazole);bis(4-methyl-2H-imidazole);5-methyl-1H-imidazole;1-methylnaphthalene;2-methylnaphthalene;5-methyl-1,2,4-oxadiazole;bis(2-methyl-1,3-oxazole);5-methyl-1,2-oxazole;1-methyl-4-phenylbenzene;2-methylpyrazine;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);bis(2-methylpyrimidine);5-methylpyrimidine;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;4-methyl-2H-pyrrole;5-methyl-2H-pyrrole;5-methyl-3H-pyrrole;bis(2-methyl-1,3-thiazole);3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;bis(2-methylthiophene);toluene
CID 162090409
ethane;ethylbenzene;3-methyl-1-benzothiophene;1-methylcyclopenta-1,3-diene;bis(3-methyl-1H-indole);bis(4-methyl-1H-indole);bis(5-methyl-1H-indole);1-methylnaphthalene;2-methylnaphthalene;3-methylpyridine;3-methyl-1H-pyrrole;4-methylquinoline;2-methylquinoxaline;5-methyl-1,2,3,4-tetrahydronaphthalene;2-methylthiophene;3-methylthiophene;[(E)-prop-1-enyl]benzene;toluene;bis(N,N,3-trimethylaniline)
CID 159161872
benzene;ethane;2-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;3-methyl-1-benzothiophene;2-methyl-1H-indole;molecular hydrogen
CID 160942022
2,4-dimethylthiophene;2,5-dimethylthiophene;ethane;methane;3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;2-methyl-1-benzothiophene;3-methylisoquinoline;2-methyl-1-phenylindole;2-methylpyrimidine;2-methylquinoline;pyridine;toluene
CID 159297692
methane;bis(2-methylcyclopenta-1,3-diene);tris(2-methylfuran);1-methylimidazole;bis(2-methyl-1H-imidazole);2-methyl-2H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,3-oxazole;2-methyloxolane;3-methyloxolane;2-methylpyrazine;bis(1-methylpyrazole);5-methyl-3H-pyrazole;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);bis(2-methylpyrimidine);5-methylpyrimidine;bis(1-methylpyrrole);2-methyl-2H-pyrrole;3-methyl-1H-pyrrole;3-methyl-2H-pyrrole;bis(4-methyl-2H-pyrrole);5-methyl-2H-pyrrole;5-methyl-3H-pyrrole;1-methylpyrrolidine;2-methylpyrrolidine;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;2-methylthiolane;3-methylthiolane;tris(2-methylthiophene);toluene
CID 158465217
ethane;1-methylisoquinoline;3-methylisoquinoline;6-methylisoquinoline;7-methylisoquinoline;2-methyl-1,5-naphthyridine;2-methyl-1,6-naphthyridine;2-methylquinazoline;2-methylquinoline;3-methylquinoline;6-methylquinoline;7-methylquinoline;2-methylquinoxaline
CID 157224388
1,2-dimethylbenzimidazole;ethane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole
CID 160788882
5-methyl-2H-benzotriazole;2-methylfuro[3,2-c]pyridin-4-amine;3-methylfuro[3,2-c]pyridin-4-amine;2-methyl-1H-imidazo[4,5-c]pyridin-4-amine;3-methylimidazo[4,5-c]pyridin-4-amine;6-methyl-3H-imidazo[4,5-c]pyridine;6-methyl-1H-indazole;5-methyl-1H-pyrazolo[4,5-b]pyridine;5-methyl-1H-pyrazolo[5,4-b]pyridine;6-methyl-1H-pyrazolo[4,5-b]pyridine;5-methyl-1H-pyrazolo[5,4-c]pyridine;6-methyl-1H-pyrazolo[4,5-c]pyridine;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-1H-pyrrolo[3,2-b]pyridine;6-methyl-1H-pyrrolo[3,2-b]pyridine;2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;3-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;5-methyl-1H-pyrrolo[2,3-c]pyridine;2-methylthieno[3,2-c]pyridin-4-amine;3-methylthieno[3,2-c]pyridin-4-amine
CID 160919005

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylimidazole;bis(2-methyl-1H-benzimidazole);2-methyl-1-benzofuran;3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;bis(1-methylimidazole);2-methyl-1H-indole;3-methyl-1H-indole;3-methylisoquinoline;5-methylisoquinoline;3-methylpyrazino[2,3-b]pyrazine;1-methylpyrazole;4-methyl-2H-pyrrole;2-methylquinazoline;2-methylquinoline;bis(3-methylquinoline);4-methylquinoline;5-methylquinoline;2-methylquinoxaline;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;2-methylthiophene;2-methylthiophene 1-oxide;3-methylthiophene 1-oxide?
The IUPAC name of 1,2-dimethylimidazole;bis(2-methyl-1H-benzimidazole);2-methyl-1-benzofuran;3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;bis(1-methylimidazole);2-methyl-1H-indole;3-methyl-1H-indole;3-methylisoquinoline;5-methylisoquinoline;3-methylpyrazino[2,3-b]pyrazine;1-methylpyrazole;4-methyl-2H-pyrrole;2-methylquinazoline;2-methylquinoline;bis(3-methylquinoline);4-methylquinoline;5-methylquinoline;2-methylquinoxaline;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;2-methylthiophene;2-methylthiophene 1-oxide;3-methylthiophene 1-oxide (CID 161462035) is 1,2-dimethylimidazole;bis(2-methyl-1H-benzimidazole);2-methyl-1-benzofuran;3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;bis(1-methylimidazole);2-methyl-1H-indole;3-methyl-1H-indole;3-methylisoquinoline;5-methylisoquinoline;3-methylpyrazino[2,3-b]pyrazine;1-methylpyrazole;4-methyl-2H-pyrrole;2-methylquinazoline;2-methylquinoline;bis(3-methylquinoline);4-methylquinoline;5-methylquinoline;2-methylquinoxaline;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;2-methylthiophene;2-methylthiophene 1-oxide;3-methylthiophene 1-oxide.
What is the SMILES notation for 1,2-dimethylimidazole;bis(2-methyl-1H-benzimidazole);2-methyl-1-benzofuran;3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;bis(1-methylimidazole);2-methyl-1H-indole;3-methyl-1H-indole;3-methylisoquinoline;5-methylisoquinoline;3-methylpyrazino[2,3-b]pyrazine;1-methylpyrazole;4-methyl-2H-pyrrole;2-methylquinazoline;2-methylquinoline;bis(3-methylquinoline);4-methylquinoline;5-methylquinoline;2-methylquinoxaline;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;2-methylthiophene;2-methylthiophene 1-oxide;3-methylthiophene 1-oxide?
The canonical SMILES for 1,2-dimethylimidazole;bis(2-methyl-1H-benzimidazole);2-methyl-1-benzofuran;3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;bis(1-methylimidazole);2-methyl-1H-indole;3-methyl-1H-indole;3-methylisoquinoline;5-methylisoquinoline;3-methylpyrazino[2,3-b]pyrazine;1-methylpyrazole;4-methyl-2H-pyrrole;2-methylquinazoline;2-methylquinoline;bis(3-methylquinoline);4-methylquinoline;5-methylquinoline;2-methylquinoxaline;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;2-methylthiophene;2-methylthiophene 1-oxide;3-methylthiophene 1-oxide is CC1=CC=CS1=O.CC1=CCN=C1.CC1=CS(=O)C=C1.Cc1c[nH]c2ccccc12.Cc1cc2ccccc2[nH]1.Cc1cc2ccccc2cn1.Cc1cc2ccccc2o1.Cc1cc2ccccc2s1.Cc1ccc2ccccc2n1.Cc1cccc2cnccc12.Cc1cccc2ncccc12.Cc1cccs1.Cc1ccnc2ccccc12.Cc1ccsn1.Cc1cnc2ccccc2c1.Cc1cnc2ccccc2c1.Cc1cnc2ccccc2n1.Cc1cnc2nccnc2n1.Cc1coc2ccccc12.Cc1csc2ccccc12.Cc1nc2ccccc2[nH]1.Cc1nc2ccccc2[nH]1.Cc1nc2ccccc2o1.Cc1nc2ccccc2s1.Cc1ncc2ccccc2n1.Cc1nccn1C.Cc1nccs1.Cn1cccn1.Cn1ccnc1.Cn1ccnc1.
What is the InChIKey of 1,2-dimethylimidazole;bis(2-methyl-1H-benzimidazole);2-methyl-1-benzofuran;3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;bis(1-methylimidazole);2-methyl-1H-indole;3-methyl-1H-indole;3-methylisoquinoline;5-methylisoquinoline;3-methylpyrazino[2,3-b]pyrazine;1-methylpyrazole;4-methyl-2H-pyrrole;2-methylquinazoline;2-methylquinoline;bis(3-methylquinoline);4-methylquinoline;5-methylquinoline;2-methylquinoxaline;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;2-methylthiophene;2-methylthiophene 1-oxide;3-methylthiophene 1-oxide?
The InChIKey is WBYDDBMLVSHJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/7C10H9N.2C9H8N2.2C9H9N.2C9H8O.2C9H8S.2C8H8N2.C8H7NO.C8H7NS.C7H6N4.C5H8N2.C5H7N.2C5H6OS.C5H6S.3C4H6N2.2C4H5NS/c1-8-4-2-6-10-9(8)5-3-7-11-10;1-8-3-2-4-9-7-11-6-5-10(8)9;1-8-6-9-4-2-3-5-10(9)7-11-8;2*1-8-6-9-4-2-3-5-10(9)11-7-8;1-8-6-7-11-10-5-3-2-4-9(8)10;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;1-7-6-10-8-4-2-3-5-9(8)11-7;1-7-6-10-9-5-3-2-4-8(7)9;1-7-6-8-4-2-3-5-9(8)10-7;1-7-6-10-9-5-3-2-4-8(7)9;1-7-6-8-4-2-3-5-9(8)10-7;1-7-6-10-9-5-3-2-4-8(7)9;1-7-6-8-4-2-3-5-9(8)10-7;4*1-6-9-7-4-2-3-5-8(7)10-6;1-5-4-10-6-7(11-5)9-3-2-8-6;1-5-6-3-4-7(5)2;1-5-2-3-6-4-5;1-5-2-3-7(6)4-5;1-5-3-2-4-7(5)6;1-5-3-2-4-6-5;2*1-6-3-2-5-4-6;1-6-4-2-3-5-6;1-4-5-2-3-6-4;1-4-2-3-6-5-4/h7*2-7H,1H3;2*2-6H,1H3;2*2-6,10H,1H3;4*2-6H,1H3;2*2-5H,1H3,(H,9,10);2*2-5H,1H3;2-4H,1H3;3-4H,1-2H3;2,4H,3H2,1H3;2*2-4H,1H3;4*2-4H,1H3;2*2-3H,1H3.
What are the key properties of 1,2-dimethylimidazole;bis(2-methyl-1H-benzimidazole);2-methyl-1-benzofuran;3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;bis(1-methylimidazole);2-methyl-1H-indole;3-methyl-1H-indole;3-methylisoquinoline;5-methylisoquinoline;3-methylpyrazino[2,3-b]pyrazine;1-methylpyrazole;4-methyl-2H-pyrrole;2-methylquinazoline;2-methylquinoline;bis(3-methylquinoline);4-methylquinoline;5-methylquinoline;2-methylquinoxaline;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;2-methylthiophene;2-methylthiophene 1-oxide;3-methylthiophene 1-oxide?
1,2-dimethylimidazole;bis(2-methyl-1H-benzimidazole);2-methyl-1-benzofuran;3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;bis(1-methylimidazole);2-methyl-1H-indole;3-methyl-1H-indole;3-methylisoquinoline;5-methylisoquinoline;3-methylpyrazino[2,3-b]pyrazine;1-methylpyrazole;4-methyl-2H-pyrrole;2-methylquinazoline;2-methylquinoline;bis(3-methylquinoline);4-methylquinoline;5-methylquinoline;2-methylquinoxaline;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;2-methylthiophene;2-methylthiophene 1-oxide;3-methylthiophene 1-oxide has a molecular weight of 3755.06 g/mol, XLogP of 58.04, 0 rotatable bonds, 4 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylimidazole;bis(2-methyl-1H-benzimidazole);2-methyl-1-benzofuran;3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;bis(1-methylimidazole);2-methyl-1H-indole;3-methyl-1H-indole;3-methylisoquinoline;5-methylisoquinoline;3-methylpyrazino[2,3-b]pyrazine;1-methylpyrazole;4-methyl-2H-pyrrole;2-methylquinazoline;2-methylquinoline;bis(3-methylquinoline);4-methylquinoline;5-methylquinoline;2-methylquinoxaline;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;2-methylthiophene;2-methylthiophene 1-oxide;3-methylthiophene 1-oxide is sourced from PubChem (CID 161462035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).