1,2-dimethylbenzimidazole;1,2-dimethylimidazole;ethane;methane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;bis(5-methyl-2H-tetrazole);2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;bis(5-methyl-1H-1,2,4-triazole)

C72H102N30O3S3 — CID 162283748

About 1,2-dimethylbenzimidazole;1,2-dimethylimidazole;ethane;methane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;bis(5-methyl-2H-tetrazole);2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;bis(5-methyl-1H-1,2,4-triazole)

1,2-dimethylbenzimidazole;1,2-dimethylimidazole;ethane;methane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;bis(5-methyl-2H-tetrazole);2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;bis(5-methyl-1H-1,2,4-triazole) (PubChem CID 162283748) has the molecular formula C72H102N30O3S3 and a molecular weight of 1532.02 g/mol. Its IUPAC name is 1,2-dimethylbenzimidazole;1,2-dimethylimidazole;ethane;methane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;bis(5-methyl-2H-tetrazole);2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;bis(5-methyl-1H-1,2,4-triazole).

Molecular Properties

• Compound Name: 1,2-dimethylbenzimidazole;1,2-dimethylimidazole;ethane;methane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;bis(5-methyl-2H-tetrazole);2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;bis(5-methyl-1H-1,2,4-triazole)
• PubChem CID: 162283748
• Molecular Formula: C72H102N30O3S3
• Molecular Weight: 1532.02 g/mol
• Exact Mass: 1530.79
• IUPAC Name: 1,2-dimethylbenzimidazole;1,2-dimethylimidazole;ethane;methane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;bis(5-methyl-2H-tetrazole);2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;bis(5-methyl-1H-1,2,4-triazole)
• SMILES: C.C.CC.CC.Cc1nc2ccccc2[nH]1.Cc1nc2ccccc2n1C.Cc1nc2ccccc2o1.Cc1nc2ccccc2s1.Cc1ncc[nH]1.Cc1nccn1C.Cc1ncco1.Cc1nccs1.Cc1ncn[nH]1.Cc1ncn[nH]1.Cc1nn[nH]n1.Cc1nn[nH]n1.Cc1nnco1.Cc1nncs1
• InChI: InChI=1S/C9H10N2.C8H8N2.C8H7NO.C8H7NS.C5H8N2.C4H6N2.C4H5NO.C4H5NS.2C3H5N3.C3H4N2O.C3H4N2S.2C2H4N4.2C2H6.2CH4/c1-7-10-8-5-3-4-6-9(8)11(7)2;3*1-6-9-7-4-2-3-5-8(7)10-6;1-5-6-3-4-7(5)2;3*1-4-5-2-3-6-4;2*1-3-4-2-5-6-3;2*1-3-5-4-2-6-3;2*1-2-3-5-6-4-2;2*1-2;;/h3-6H,1-2H3;2-5H,1H3,(H,9,10);2*2-5H,1H3;3-4H,1-2H3;2-3H,1H3,(H,5,6);2*2-3H,1H3;2*2H,1H3,(H,4,5,6);2*2H,1H3;2*1H3,(H,3,4,5,6);2*1-2H3;2*1H4
• InChIKey: RDNDGMDZEFGOSD-UHFFFAOYSA-N
• XLogP: 16.17
• TPSA: 427.60 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 30
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1532.02
LogP ≤ 5	16.17
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylbenzimidazole;1,2-dimethylimidazole;ethane;methane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;bis(5-methyl-2H-tetrazole);2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;bis(5-methyl-1H-1,2,4-triazole)?

The IUPAC name of 1,2-dimethylbenzimidazole;1,2-dimethylimidazole;ethane;methane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;bis(5-methyl-2H-tetrazole);2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;bis(5-methyl-1H-1,2,4-triazole) (CID 162283748) is 1,2-dimethylbenzimidazole;1,2-dimethylimidazole;ethane;methane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;bis(5-methyl-2H-tetrazole);2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;bis(5-methyl-1H-1,2,4-triazole).

What is the SMILES notation for 1,2-dimethylbenzimidazole;1,2-dimethylimidazole;ethane;methane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;bis(5-methyl-2H-tetrazole);2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;bis(5-methyl-1H-1,2,4-triazole)?

The canonical SMILES for 1,2-dimethylbenzimidazole;1,2-dimethylimidazole;ethane;methane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;bis(5-methyl-2H-tetrazole);2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;bis(5-methyl-1H-1,2,4-triazole) is C.C.CC.CC.Cc1nc2ccccc2[nH]1.Cc1nc2ccccc2n1C.Cc1nc2ccccc2o1.Cc1nc2ccccc2s1.Cc1ncc[nH]1.Cc1nccn1C.Cc1ncco1.Cc1nccs1.Cc1ncn[nH]1.Cc1ncn[nH]1.Cc1nn[nH]n1.Cc1nn[nH]n1.Cc1nnco1.Cc1nncs1.

What is the InChIKey of 1,2-dimethylbenzimidazole;1,2-dimethylimidazole;ethane;methane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;bis(5-methyl-2H-tetrazole);2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;bis(5-methyl-1H-1,2,4-triazole)?

The InChIKey is RDNDGMDZEFGOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2.C8H8N2.C8H7NO.C8H7NS.C5H8N2.C4H6N2.C4H5NO.C4H5NS.2C3H5N3.C3H4N2O.C3H4N2S.2C2H4N4.2C2H6.2CH4/c1-7-10-8-5-3-4-6-9(8)11(7)2;3*1-6-9-7-4-2-3-5-8(7)10-6;1-5-6-3-4-7(5)2;3*1-4-5-2-3-6-4;2*1-3-4-2-5-6-3;2*1-3-5-4-2-6-3;2*1-2-3-5-6-4-2;2*1-2;;/h3-6H,1-2H3;2-5H,1H3,(H,9,10);2*2-5H,1H3;3-4H,1-2H3;2-3H,1H3,(H,5,6);2*2-3H,1H3;2*2H,1H3,(H,4,5,6);2*2H,1H3;2*1H3,(H,3,4,5,6);2*1-2H3;2*1H4.

What are the key properties of 1,2-dimethylbenzimidazole;1,2-dimethylimidazole;ethane;methane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;bis(5-methyl-2H-tetrazole);2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;bis(5-methyl-1H-1,2,4-triazole)?

1,2-dimethylbenzimidazole;1,2-dimethylimidazole;ethane;methane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;bis(5-methyl-2H-tetrazole);2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;bis(5-methyl-1H-1,2,4-triazole) has a molecular weight of 1532.02 g/mol, XLogP of 16.17, 0 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2-dimethylbenzimidazole;1,2-dimethylimidazole;ethane;methane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;bis(5-methyl-2H-tetrazole);2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;bis(5-methyl-1H-1,2,4-triazole) is sourced from PubChem (CID 162283748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).