2-methyl-3aH-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;2-methyl-1,5-diphenylpyrrole;2-methylindolizine;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;7-methylpyrrolo[1,2-a]pyrimidine;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;2-methylthiophene

C86H86N14O3S5 — CID 157452345

About 2-methyl-3aH-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;2-methyl-1,5-diphenylpyrrole;2-methylindolizine;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;7-methylpyrrolo[1,2-a]pyrimidine;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;2-methylthiophene

2-methyl-3aH-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;2-methyl-1,5-diphenylpyrrole;2-methylindolizine;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;7-methylpyrrolo[1,2-a]pyrimidine;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;2-methylthiophene (PubChem CID 157452345) has the molecular formula C86H86N14O3S5 and a molecular weight of 1524.06 g/mol. Its IUPAC name is 2-methyl-3aH-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;2-methyl-1,5-diphenylpyrrole;2-methylindolizine;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;7-methylpyrrolo[1,2-a]pyrimidine;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;2-methylthiophene.

Molecular Properties

• Compound Name: 2-methyl-3aH-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;2-methyl-1,5-diphenylpyrrole;2-methylindolizine;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;7-methylpyrrolo[1,2-a]pyrimidine;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;2-methylthiophene
• PubChem CID: 157452345
• Molecular Formula: C86H86N14O3S5
• Molecular Weight: 1524.06 g/mol
• Exact Mass: 1522.56
• IUPAC Name: 2-methyl-3aH-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;2-methyl-1,5-diphenylpyrrole;2-methylindolizine;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;7-methylpyrrolo[1,2-a]pyrimidine;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;2-methylthiophene
• SMILES: CC1=NC2C=CC=CC2=N1.Cc1cc2ccccc2s1.Cc1cc2ccccn2c1.Cc1cc2ncccn2c1.Cc1ccc(-c2ccccc2)n1-c1ccccc1.Cc1cccs1.Cc1nc2ccccc2o1.Cc1nc2ccccc2s1.Cc1ncco1.Cc1nccs1.Cc1nnco1.Cc1nncs1
• InChI: InChI=1S/C17H15N.C9H9N.C9H8S.2C8H8N2.C8H7NO.C8H7NS.C5H6S.C4H5NO.C4H5NS.C3H4N2O.C3H4N2S/c1-14-12-13-17(15-8-4-2-5-9-15)18(14)16-10-6-3-7-11-16;1-8-6-9-4-2-3-5-10(9)7-8;1-7-6-8-4-2-3-5-9(8)10-7;1-7-5-8-9-3-2-4-10(8)6-7;3*1-6-9-7-4-2-3-5-8(7)10-6;1-5-3-2-4-6-5;2*1-4-5-2-3-6-4;2*1-3-5-4-2-6-3/h2-13H,1H3;2-7H,1H3;2*2-6H,1H3;2-5,7H,1H3;2*2-5H,1H3;2-4H,1H3;2*2-3H,1H3;2*2H,1H3
• InChIKey: BSYGKVCCFKUAET-UHFFFAOYSA-N
• XLogP: 23.36
• TPSA: 193.90 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 2
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1524.06
LogP ≤ 5	23.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3aH-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;2-methyl-1,5-diphenylpyrrole;2-methylindolizine;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;7-methylpyrrolo[1,2-a]pyrimidine;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;2-methylthiophene?

The IUPAC name of 2-methyl-3aH-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;2-methyl-1,5-diphenylpyrrole;2-methylindolizine;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;7-methylpyrrolo[1,2-a]pyrimidine;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;2-methylthiophene (CID 157452345) is 2-methyl-3aH-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;2-methyl-1,5-diphenylpyrrole;2-methylindolizine;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;7-methylpyrrolo[1,2-a]pyrimidine;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;2-methylthiophene.

What is the SMILES notation for 2-methyl-3aH-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;2-methyl-1,5-diphenylpyrrole;2-methylindolizine;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;7-methylpyrrolo[1,2-a]pyrimidine;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;2-methylthiophene?

The canonical SMILES for 2-methyl-3aH-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;2-methyl-1,5-diphenylpyrrole;2-methylindolizine;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;7-methylpyrrolo[1,2-a]pyrimidine;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;2-methylthiophene is CC1=NC2C=CC=CC2=N1.Cc1cc2ccccc2s1.Cc1cc2ccccn2c1.Cc1cc2ncccn2c1.Cc1ccc(-c2ccccc2)n1-c1ccccc1.Cc1cccs1.Cc1nc2ccccc2o1.Cc1nc2ccccc2s1.Cc1ncco1.Cc1nccs1.Cc1nnco1.Cc1nncs1.

What is the InChIKey of 2-methyl-3aH-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;2-methyl-1,5-diphenylpyrrole;2-methylindolizine;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;7-methylpyrrolo[1,2-a]pyrimidine;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;2-methylthiophene?

The InChIKey is BSYGKVCCFKUAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N.C9H9N.C9H8S.2C8H8N2.C8H7NO.C8H7NS.C5H6S.C4H5NO.C4H5NS.C3H4N2O.C3H4N2S/c1-14-12-13-17(15-8-4-2-5-9-15)18(14)16-10-6-3-7-11-16;1-8-6-9-4-2-3-5-10(9)7-8;1-7-6-8-4-2-3-5-9(8)10-7;1-7-5-8-9-3-2-4-10(8)6-7;3*1-6-9-7-4-2-3-5-8(7)10-6;1-5-3-2-4-6-5;2*1-4-5-2-3-6-4;2*1-3-5-4-2-6-3/h2-13H,1H3;2-7H,1H3;2*2-6H,1H3;2-5,7H,1H3;2*2-5H,1H3;2-4H,1H3;2*2-3H,1H3;2*2H,1H3.

What are the key properties of 2-methyl-3aH-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;2-methyl-1,5-diphenylpyrrole;2-methylindolizine;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;7-methylpyrrolo[1,2-a]pyrimidine;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;2-methylthiophene?

2-methyl-3aH-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;2-methyl-1,5-diphenylpyrrole;2-methylindolizine;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;7-methylpyrrolo[1,2-a]pyrimidine;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;2-methylthiophene has a molecular weight of 1524.06 g/mol, XLogP of 23.36, 2 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-3aH-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;2-methyl-1,5-diphenylpyrrole;2-methylindolizine;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;7-methylpyrrolo[1,2-a]pyrimidine;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;2-methylthiophene is sourced from PubChem (CID 157452345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).