7-methyl-1,3-dihydroimidazo[4,5-c]pyridin-2-one;3-methylimidazo[1,2-a]pyrimidine;7-methylimidazo[1,2-b][1,2,4]triazine;1-methylimidazole;1-methylisoquinoline;1-methylpyridin-2-one;5-methylquinoline;5-methylquinoxaline;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene

C73H76N18O2S3 — CID 161408082

IUPAC7-methyl-1,3-dihydroimidazo[4,5-c]pyridin-2-one;3-methylimidazo[1,2-a]pyrimidine;7-methylimidazo[1,2-b][1,2,4]triazine;1-methylimidazole;1-methylisoquinoline;1-methylpyridin-2-one;5-methylquinoline;5-methylquinoxaline;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene
SMILESCc1cccc2ncccc12.Cc1cccc2nccnc12.Cc1cccs1.Cc1ccsc1.Cc1cnc2ncccn12.Cc1cnc2nccnn12.Cc1cncc2[nH]c(=O)[nH]c12.Cc1cncs1.Cc1nccc2ccccc12.Cn1ccccc1=O.Cn1ccnc1
InChIInChI=1S/2C10H9N.C9H8N2.C7H7N3O.C7H7N3.C6H6N4.C6H7NO.2C5H6S.C4H6N2.C4H5NS/c1-8-4-2-6-10-9(8)5-3-7-11-10;1-8-10-5-3-2-4-9(10)6-7-11-8;1-7-3-2-4-8-9(7)11-6-5-10-8;1-4-2-8-3-5-6(4)10-7(11)9-5;1-6-5-9-7-8-3-2-4-10(6)7;1-5-4-8-6-7-2-3-9-10(5)6;1-7-5-3-2-4-6(7)8;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-6-3-2-5-4-6;1-4-2-5-3-6-4/h2*2-7H,1H3;2-6H,1H3;2-3H,1H3,(H2,9,10,11);2-5H,1H3;2-4H,1H3;2-5H,1H3;3*2-4H,1H3;2-3H,1H3
InChIKeyVVCOXRSGOTVSPJ-UHFFFAOYSA-N
MW1333.74 g/mol
LogP15.42
Rot. Bonds

About 7-methyl-1,3-dihydroimidazo[4,5-c]pyridin-2-one;3-methylimidazo[1,2-a]pyrimidine;7-methylimidazo[1,2-b][1,2,4]triazine;1-methylimidazole;1-methylisoquinoline;1-methylpyridin-2-one;5-methylquinoline;5-methylquinoxaline;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene

7-methyl-1,3-dihydroimidazo[4,5-c]pyridin-2-one;3-methylimidazo[1,2-a]pyrimidine;7-methylimidazo[1,2-b][1,2,4]triazine;1-methylimidazole;1-methylisoquinoline;1-methylpyridin-2-one;5-methylquinoline;5-methylquinoxaline;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene (PubChem CID 161408082) has the molecular formula C73H76N18O2S3 and a molecular weight of 1333.74 g/mol. Its IUPAC name is 7-methyl-1,3-dihydroimidazo[4,5-c]pyridin-2-one;3-methylimidazo[1,2-a]pyrimidine;7-methylimidazo[1,2-b][1,2,4]triazine;1-methylimidazole;1-methylisoquinoline;1-methylpyridin-2-one;5-methylquinoline;5-methylquinoxaline;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene.

Molecular Properties

Compound Name7-methyl-1,3-dihydroimidazo[4,5-c]pyridin-2-one;3-methylimidazo[1,2-a]pyrimidine;7-methylimidazo[1,2-b][1,2,4]triazine;1-methylimidazole;1-methylisoquinoline;1-methylpyridin-2-one;5-methylquinoline;5-methylquinoxaline;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene
PubChem CID161408082
Molecular FormulaC73H76N18O2S3
Molecular Weight1333.74 g/mol
Exact Mass1332.56
IUPAC Name7-methyl-1,3-dihydroimidazo[4,5-c]pyridin-2-one;3-methylimidazo[1,2-a]pyrimidine;7-methylimidazo[1,2-b][1,2,4]triazine;1-methylimidazole;1-methylisoquinoline;1-methylpyridin-2-one;5-methylquinoline;5-methylquinoxaline;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene
SMILESCc1cccc2ncccc12.Cc1cccc2nccnc12.Cc1cccs1.Cc1ccsc1.Cc1cnc2ncccn12.Cc1cnc2nccnn12.Cc1cncc2[nH]c(=O)[nH]c12.Cc1cncs1.Cc1nccc2ccccc12.Cn1ccccc1=O.Cn1ccnc1
InChIInChI=1S/2C10H9N.C9H8N2.C7H7N3O.C7H7N3.C6H6N4.C6H7NO.2C5H6S.C4H6N2.C4H5NS/c1-8-4-2-6-10-9(8)5-3-7-11-10;1-8-10-5-3-2-4-9(10)6-7-11-8;1-7-3-2-4-8-9(7)11-6-5-10-8;1-4-2-8-3-5-6(4)10-7(11)9-5;1-6-5-9-7-8-3-2-4-10(6)7;1-5-4-8-6-7-2-3-9-10(5)6;1-7-5-3-2-4-6(7)8;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-6-3-2-5-4-6;1-4-2-5-3-6-4/h2*2-7H,1H3;2-6H,1H3;2-3H,1H3,(H2,9,10,11);2-5H,1H3;2-4H,1H3;2-5H,1H3;3*2-4H,1H3;2-3H,1H3
InChIKeyVVCOXRSGOTVSPJ-UHFFFAOYSA-N
XLogP15.42
TPSA239.08 Ų
H-Bond Donors2
H-Bond Acceptors21
Rotatable Bonds
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001333.74
LogP ≤ 515.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1021

Analyze 7-methyl-1,3-dihydroimidazo[4,5-c]pyridin-2-one;3-methylimidazo[1,2-a]pyrimidine;7-methylimidazo[1,2-b][1,2,4]triazine;1-methylimidazole;1-methylisoquinoline;1-methylpyridin-2-one;5-methylquinoline;5-methylquinoxaline;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1,3-dihydroimidazo[4,5-c]pyridin-2-one;3-methylimidazo[1,2-a]pyrimidine;7-methylimidazo[1,2-b][1,2,4]triazine;1-methylimidazole;1-methylisoquinoline;1-methylpyridin-2-one;5-methylquinoline;5-methylquinoxaline;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene?
The IUPAC name of 7-methyl-1,3-dihydroimidazo[4,5-c]pyridin-2-one;3-methylimidazo[1,2-a]pyrimidine;7-methylimidazo[1,2-b][1,2,4]triazine;1-methylimidazole;1-methylisoquinoline;1-methylpyridin-2-one;5-methylquinoline;5-methylquinoxaline;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene (CID 161408082) is 7-methyl-1,3-dihydroimidazo[4,5-c]pyridin-2-one;3-methylimidazo[1,2-a]pyrimidine;7-methylimidazo[1,2-b][1,2,4]triazine;1-methylimidazole;1-methylisoquinoline;1-methylpyridin-2-one;5-methylquinoline;5-methylquinoxaline;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene.
What is the SMILES notation for 7-methyl-1,3-dihydroimidazo[4,5-c]pyridin-2-one;3-methylimidazo[1,2-a]pyrimidine;7-methylimidazo[1,2-b][1,2,4]triazine;1-methylimidazole;1-methylisoquinoline;1-methylpyridin-2-one;5-methylquinoline;5-methylquinoxaline;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene?
The canonical SMILES for 7-methyl-1,3-dihydroimidazo[4,5-c]pyridin-2-one;3-methylimidazo[1,2-a]pyrimidine;7-methylimidazo[1,2-b][1,2,4]triazine;1-methylimidazole;1-methylisoquinoline;1-methylpyridin-2-one;5-methylquinoline;5-methylquinoxaline;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene is Cc1cccc2ncccc12.Cc1cccc2nccnc12.Cc1cccs1.Cc1ccsc1.Cc1cnc2ncccn12.Cc1cnc2nccnn12.Cc1cncc2[nH]c(=O)[nH]c12.Cc1cncs1.Cc1nccc2ccccc12.Cn1ccccc1=O.Cn1ccnc1.
What is the InChIKey of 7-methyl-1,3-dihydroimidazo[4,5-c]pyridin-2-one;3-methylimidazo[1,2-a]pyrimidine;7-methylimidazo[1,2-b][1,2,4]triazine;1-methylimidazole;1-methylisoquinoline;1-methylpyridin-2-one;5-methylquinoline;5-methylquinoxaline;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene?
The InChIKey is VVCOXRSGOTVSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H9N.C9H8N2.C7H7N3O.C7H7N3.C6H6N4.C6H7NO.2C5H6S.C4H6N2.C4H5NS/c1-8-4-2-6-10-9(8)5-3-7-11-10;1-8-10-5-3-2-4-9(10)6-7-11-8;1-7-3-2-4-8-9(7)11-6-5-10-8;1-4-2-8-3-5-6(4)10-7(11)9-5;1-6-5-9-7-8-3-2-4-10(6)7;1-5-4-8-6-7-2-3-9-10(5)6;1-7-5-3-2-4-6(7)8;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-6-3-2-5-4-6;1-4-2-5-3-6-4/h2*2-7H,1H3;2-6H,1H3;2-3H,1H3,(H2,9,10,11);2-5H,1H3;2-4H,1H3;2-5H,1H3;3*2-4H,1H3;2-3H,1H3.
What are the key properties of 7-methyl-1,3-dihydroimidazo[4,5-c]pyridin-2-one;3-methylimidazo[1,2-a]pyrimidine;7-methylimidazo[1,2-b][1,2,4]triazine;1-methylimidazole;1-methylisoquinoline;1-methylpyridin-2-one;5-methylquinoline;5-methylquinoxaline;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene?
7-methyl-1,3-dihydroimidazo[4,5-c]pyridin-2-one;3-methylimidazo[1,2-a]pyrimidine;7-methylimidazo[1,2-b][1,2,4]triazine;1-methylimidazole;1-methylisoquinoline;1-methylpyridin-2-one;5-methylquinoline;5-methylquinoxaline;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene has a molecular weight of 1333.74 g/mol, XLogP of 15.42, 0 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1,3-dihydroimidazo[4,5-c]pyridin-2-one;3-methylimidazo[1,2-a]pyrimidine;7-methylimidazo[1,2-b][1,2,4]triazine;1-methylimidazole;1-methylisoquinoline;1-methylpyridin-2-one;5-methylquinoline;5-methylquinoxaline;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene is sourced from PubChem (CID 161408082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).