1,2-dimethylbenzimidazole;2,4-dimethyl-1,3-benzoxazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;2,7-dimethyl-1,3-benzoxazole;ethylbenzene;5-ethyl-2-methyltetrazole;2-ethyl-[1,3]oxazolo[4,5-c]pyridine;2-ethyl-[1,3]oxazolo[5,4-c]pyridine;3-ethylpyridazine;2-ethylpyridine;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-[1,3]oxazolo[4,5-b]pyridine;2-methyl-[1,3]oxazolo[5,4-b]pyridine;6-methyl-[1,3]oxazolo[4,5-c]pyridazine;2-methylpyrazine;2-methylpyrimidine;4-methylpyrimidine

C145H154N34O10S — CID 157203568

About 1,2-dimethylbenzimidazole;2,4-dimethyl-1,3-benzoxazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;2,7-dimethyl-1,3-benzoxazole;ethylbenzene;5-ethyl-2-methyltetrazole;2-ethyl-[1,3]oxazolo[4,5-c]pyridine;2-ethyl-[1,3]oxazolo[5,4-c]pyridine;3-ethylpyridazine;2-ethylpyridine;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-[1,3]oxazolo[4,5-b]pyridine;2-methyl-[1,3]oxazolo[5,4-b]pyridine;6-methyl-[1,3]oxazolo[4,5-c]pyridazine;2-methylpyrazine;2-methylpyrimidine;4-methylpyrimidine

1,2-dimethylbenzimidazole;2,4-dimethyl-1,3-benzoxazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;2,7-dimethyl-1,3-benzoxazole;ethylbenzene;5-ethyl-2-methyltetrazole;2-ethyl-[1,3]oxazolo[4,5-c]pyridine;2-ethyl-[1,3]oxazolo[5,4-c]pyridine;3-ethylpyridazine;2-ethylpyridine;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-[1,3]oxazolo[4,5-b]pyridine;2-methyl-[1,3]oxazolo[5,4-b]pyridine;6-methyl-[1,3]oxazolo[4,5-c]pyridazine;2-methylpyrazine;2-methylpyrimidine;4-methylpyrimidine (PubChem CID 157203568) has the molecular formula C145H154N34O10S and a molecular weight of 2565.12 g/mol. Its IUPAC name is 1,2-dimethylbenzimidazole;2,4-dimethyl-1,3-benzoxazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;2,7-dimethyl-1,3-benzoxazole;ethylbenzene;5-ethyl-2-methyltetrazole;2-ethyl-[1,3]oxazolo[4,5-c]pyridine;2-ethyl-[1,3]oxazolo[5,4-c]pyridine;3-ethylpyridazine;2-ethylpyridine;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-[1,3]oxazolo[4,5-b]pyridine;2-methyl-[1,3]oxazolo[5,4-b]pyridine;6-methyl-[1,3]oxazolo[4,5-c]pyridazine;2-methylpyrazine;2-methylpyrimidine;4-methylpyrimidine.

Molecular Properties

• Compound Name: 1,2-dimethylbenzimidazole;2,4-dimethyl-1,3-benzoxazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;2,7-dimethyl-1,3-benzoxazole;ethylbenzene;5-ethyl-2-methyltetrazole;2-ethyl-[1,3]oxazolo[4,5-c]pyridine;2-ethyl-[1,3]oxazolo[5,4-c]pyridine;3-ethylpyridazine;2-ethylpyridine;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-[1,3]oxazolo[4,5-b]pyridine;2-methyl-[1,3]oxazolo[5,4-b]pyridine;6-methyl-[1,3]oxazolo[4,5-c]pyridazine;2-methylpyrazine;2-methylpyrimidine;4-methylpyrimidine
• PubChem CID: 157203568
• Molecular Formula: C145H154N34O10S
• Molecular Weight: 2565.12 g/mol
• Exact Mass: 2563.23
• IUPAC Name: 1,2-dimethylbenzimidazole;2,4-dimethyl-1,3-benzoxazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;2,7-dimethyl-1,3-benzoxazole;ethylbenzene;5-ethyl-2-methyltetrazole;2-ethyl-[1,3]oxazolo[4,5-c]pyridine;2-ethyl-[1,3]oxazolo[5,4-c]pyridine;3-ethylpyridazine;2-ethylpyridine;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-[1,3]oxazolo[4,5-b]pyridine;2-methyl-[1,3]oxazolo[5,4-b]pyridine;6-methyl-[1,3]oxazolo[4,5-c]pyridazine;2-methylpyrazine;2-methylpyrimidine;4-methylpyrimidine
• SMILES: CCc1ccccc1.CCc1ccccn1.CCc1cccnn1.CCc1nc2ccncc2o1.CCc1nc2cnccc2o1.CCc1nnn(C)n1.Cc1ccc2nc(C)oc2c1.Cc1ccc2oc(C)nc2c1.Cc1ccncn1.Cc1cnccn1.Cc1nc2c(C)cccc2o1.Cc1nc2cccc(C)c2o1.Cc1nc2ccccc2[nH]1.Cc1nc2ccccc2n1C.Cc1nc2ccccc2o1.Cc1nc2ccccc2s1.Cc1nc2cccnc2o1.Cc1nc2ncccc2o1.Cc1nc2nnccc2o1.Cc1ncccn1
• InChI: InChI=1S/C9H10N2.4C9H9NO.2C8H8N2O.C8H8N2.C8H7NO.C8H7NS.C8H10.2C7H6N2O.C7H9N.C6H5N3O.C6H8N2.3C5H6N2.C4H8N4/c1-7-10-8-5-3-4-6-9(8)11(7)2;1-6-3-4-9-8(5-6)10-7(2)11-9;1-6-3-4-8-9(5-6)11-7(2)10-8;1-6-4-3-5-8-9(6)10-7(2)11-8;1-6-4-3-5-8-9(6)11-7(2)10-8;1-2-8-10-6-5-9-4-3-7(6)11-8;1-2-8-10-6-3-4-9-5-7(6)11-8;3*1-6-9-7-4-2-3-5-8(7)10-6;1-2-8-6-4-3-5-7-8;1-5-9-7-6(10-5)3-2-4-8-7;1-5-9-6-3-2-4-8-7(6)10-5;1-2-7-5-3-4-6-8-7;1-4-8-6-5(10-4)2-3-7-9-6;1-2-6-4-3-5-7-8-6;1-5-4-6-2-3-7-5;1-5-2-3-6-4-7-5;1-5-6-3-2-4-7-5;1-3-4-5-7-8(2)6-4/h3-6H,1-2H3;4*3-5H,1-2H3;2*3-5H,2H2,1H3;2-5H,1H3,(H,9,10);2*2-5H,1H3;3-7H,2H2,1H3;2*2-4H,1H3;3-6H,2H2,1H3;2-3H,1H3;3-5H,2H2,1H3;3*2-4H,1H3;3H2,1-2H3
• InChIKey: ARBVHOIGGKNNCR-UHFFFAOYSA-N
• XLogP: 32.89
• TPSA: 556.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 44
• Rotatable Bonds: 6
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2565.12
LogP ≤ 5	32.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	44

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylbenzimidazole;2,4-dimethyl-1,3-benzoxazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;2,7-dimethyl-1,3-benzoxazole;ethylbenzene;5-ethyl-2-methyltetrazole;2-ethyl-[1,3]oxazolo[4,5-c]pyridine;2-ethyl-[1,3]oxazolo[5,4-c]pyridine;3-ethylpyridazine;2-ethylpyridine;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-[1,3]oxazolo[4,5-b]pyridine;2-methyl-[1,3]oxazolo[5,4-b]pyridine;6-methyl-[1,3]oxazolo[4,5-c]pyridazine;2-methylpyrazine;2-methylpyrimidine;4-methylpyrimidine?

The IUPAC name of 1,2-dimethylbenzimidazole;2,4-dimethyl-1,3-benzoxazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;2,7-dimethyl-1,3-benzoxazole;ethylbenzene;5-ethyl-2-methyltetrazole;2-ethyl-[1,3]oxazolo[4,5-c]pyridine;2-ethyl-[1,3]oxazolo[5,4-c]pyridine;3-ethylpyridazine;2-ethylpyridine;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-[1,3]oxazolo[4,5-b]pyridine;2-methyl-[1,3]oxazolo[5,4-b]pyridine;6-methyl-[1,3]oxazolo[4,5-c]pyridazine;2-methylpyrazine;2-methylpyrimidine;4-methylpyrimidine (CID 157203568) is 1,2-dimethylbenzimidazole;2,4-dimethyl-1,3-benzoxazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;2,7-dimethyl-1,3-benzoxazole;ethylbenzene;5-ethyl-2-methyltetrazole;2-ethyl-[1,3]oxazolo[4,5-c]pyridine;2-ethyl-[1,3]oxazolo[5,4-c]pyridine;3-ethylpyridazine;2-ethylpyridine;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-[1,3]oxazolo[4,5-b]pyridine;2-methyl-[1,3]oxazolo[5,4-b]pyridine;6-methyl-[1,3]oxazolo[4,5-c]pyridazine;2-methylpyrazine;2-methylpyrimidine;4-methylpyrimidine.

What is the SMILES notation for 1,2-dimethylbenzimidazole;2,4-dimethyl-1,3-benzoxazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;2,7-dimethyl-1,3-benzoxazole;ethylbenzene;5-ethyl-2-methyltetrazole;2-ethyl-[1,3]oxazolo[4,5-c]pyridine;2-ethyl-[1,3]oxazolo[5,4-c]pyridine;3-ethylpyridazine;2-ethylpyridine;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-[1,3]oxazolo[4,5-b]pyridine;2-methyl-[1,3]oxazolo[5,4-b]pyridine;6-methyl-[1,3]oxazolo[4,5-c]pyridazine;2-methylpyrazine;2-methylpyrimidine;4-methylpyrimidine?

The canonical SMILES for 1,2-dimethylbenzimidazole;2,4-dimethyl-1,3-benzoxazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;2,7-dimethyl-1,3-benzoxazole;ethylbenzene;5-ethyl-2-methyltetrazole;2-ethyl-[1,3]oxazolo[4,5-c]pyridine;2-ethyl-[1,3]oxazolo[5,4-c]pyridine;3-ethylpyridazine;2-ethylpyridine;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-[1,3]oxazolo[4,5-b]pyridine;2-methyl-[1,3]oxazolo[5,4-b]pyridine;6-methyl-[1,3]oxazolo[4,5-c]pyridazine;2-methylpyrazine;2-methylpyrimidine;4-methylpyrimidine is CCc1ccccc1.CCc1ccccn1.CCc1cccnn1.CCc1nc2ccncc2o1.CCc1nc2cnccc2o1.CCc1nnn(C)n1.Cc1ccc2nc(C)oc2c1.Cc1ccc2oc(C)nc2c1.Cc1ccncn1.Cc1cnccn1.Cc1nc2c(C)cccc2o1.Cc1nc2cccc(C)c2o1.Cc1nc2ccccc2[nH]1.Cc1nc2ccccc2n1C.Cc1nc2ccccc2o1.Cc1nc2ccccc2s1.Cc1nc2cccnc2o1.Cc1nc2ncccc2o1.Cc1nc2nnccc2o1.Cc1ncccn1.

What is the InChIKey of 1,2-dimethylbenzimidazole;2,4-dimethyl-1,3-benzoxazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;2,7-dimethyl-1,3-benzoxazole;ethylbenzene;5-ethyl-2-methyltetrazole;2-ethyl-[1,3]oxazolo[4,5-c]pyridine;2-ethyl-[1,3]oxazolo[5,4-c]pyridine;3-ethylpyridazine;2-ethylpyridine;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-[1,3]oxazolo[4,5-b]pyridine;2-methyl-[1,3]oxazolo[5,4-b]pyridine;6-methyl-[1,3]oxazolo[4,5-c]pyridazine;2-methylpyrazine;2-methylpyrimidine;4-methylpyrimidine?

The InChIKey is ARBVHOIGGKNNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2.4C9H9NO.2C8H8N2O.C8H8N2.C8H7NO.C8H7NS.C8H10.2C7H6N2O.C7H9N.C6H5N3O.C6H8N2.3C5H6N2.C4H8N4/c1-7-10-8-5-3-4-6-9(8)11(7)2;1-6-3-4-9-8(5-6)10-7(2)11-9;1-6-3-4-8-9(5-6)11-7(2)10-8;1-6-4-3-5-8-9(6)10-7(2)11-8;1-6-4-3-5-8-9(6)11-7(2)10-8;1-2-8-10-6-5-9-4-3-7(6)11-8;1-2-8-10-6-3-4-9-5-7(6)11-8;3*1-6-9-7-4-2-3-5-8(7)10-6;1-2-8-6-4-3-5-7-8;1-5-9-7-6(10-5)3-2-4-8-7;1-5-9-6-3-2-4-8-7(6)10-5;1-2-7-5-3-4-6-8-7;1-4-8-6-5(10-4)2-3-7-9-6;1-2-6-4-3-5-7-8-6;1-5-4-6-2-3-7-5;1-5-2-3-6-4-7-5;1-5-6-3-2-4-7-5;1-3-4-5-7-8(2)6-4/h3-6H,1-2H3;4*3-5H,1-2H3;2*3-5H,2H2,1H3;2-5H,1H3,(H,9,10);2*2-5H,1H3;3-7H,2H2,1H3;2*2-4H,1H3;3-6H,2H2,1H3;2-3H,1H3;3-5H,2H2,1H3;3*2-4H,1H3;3H2,1-2H3.

What are the key properties of 1,2-dimethylbenzimidazole;2,4-dimethyl-1,3-benzoxazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;2,7-dimethyl-1,3-benzoxazole;ethylbenzene;5-ethyl-2-methyltetrazole;2-ethyl-[1,3]oxazolo[4,5-c]pyridine;2-ethyl-[1,3]oxazolo[5,4-c]pyridine;3-ethylpyridazine;2-ethylpyridine;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-[1,3]oxazolo[4,5-b]pyridine;2-methyl-[1,3]oxazolo[5,4-b]pyridine;6-methyl-[1,3]oxazolo[4,5-c]pyridazine;2-methylpyrazine;2-methylpyrimidine;4-methylpyrimidine?

1,2-dimethylbenzimidazole;2,4-dimethyl-1,3-benzoxazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;2,7-dimethyl-1,3-benzoxazole;ethylbenzene;5-ethyl-2-methyltetrazole;2-ethyl-[1,3]oxazolo[4,5-c]pyridine;2-ethyl-[1,3]oxazolo[5,4-c]pyridine;3-ethylpyridazine;2-ethylpyridine;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-[1,3]oxazolo[4,5-b]pyridine;2-methyl-[1,3]oxazolo[5,4-b]pyridine;6-methyl-[1,3]oxazolo[4,5-c]pyridazine;2-methylpyrazine;2-methylpyrimidine;4-methylpyrimidine has a molecular weight of 2565.12 g/mol, XLogP of 32.89, 6 rotatable bonds, 1 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2-dimethylbenzimidazole;2,4-dimethyl-1,3-benzoxazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;2,7-dimethyl-1,3-benzoxazole;ethylbenzene;5-ethyl-2-methyltetrazole;2-ethyl-[1,3]oxazolo[4,5-c]pyridine;2-ethyl-[1,3]oxazolo[5,4-c]pyridine;3-ethylpyridazine;2-ethylpyridine;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-[1,3]oxazolo[4,5-b]pyridine;2-methyl-[1,3]oxazolo[5,4-b]pyridine;6-methyl-[1,3]oxazolo[4,5-c]pyridazine;2-methylpyrazine;2-methylpyrimidine;4-methylpyrimidine is sourced from PubChem (CID 157203568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).