1,6-dimethylbenzimidazole;3,5-dimethyl-1H-benzimidazol-2-one;3,6-dimethyl-1,4-dihydroquinazolin-2-one;(3R)-3,6-dimethyl-3,4-dihydro-1H-quinolin-2-one;3,6-dimethylimidazo[1,2-a]pyridine;1,6-dimethylindazole;1,6-dimethylindole;2,5-dimethyl-1,3-oxazole;3,5-dimethylpyrazolo[1,5-a]pyridine;bis(1-ethanimidoyl-5-methylpyridin-2-imine)

C97H115N21O4 — CID 161085368

About 1,6-dimethylbenzimidazole;3,5-dimethyl-1H-benzimidazol-2-one;3,6-dimethyl-1,4-dihydroquinazolin-2-one;(3R)-3,6-dimethyl-3,4-dihydro-1H-quinolin-2-one;3,6-dimethylimidazo[1,2-a]pyridine;1,6-dimethylindazole;1,6-dimethylindole;2,5-dimethyl-1,3-oxazole;3,5-dimethylpyrazolo[1,5-a]pyridine;bis(1-ethanimidoyl-5-methylpyridin-2-imine)

1,6-dimethylbenzimidazole;3,5-dimethyl-1H-benzimidazol-2-one;3,6-dimethyl-1,4-dihydroquinazolin-2-one;(3R)-3,6-dimethyl-3,4-dihydro-1H-quinolin-2-one;3,6-dimethylimidazo[1,2-a]pyridine;1,6-dimethylindazole;1,6-dimethylindole;2,5-dimethyl-1,3-oxazole;3,5-dimethylpyrazolo[1,5-a]pyridine;bis(1-ethanimidoyl-5-methylpyridin-2-imine) (PubChem CID 161085368) has the molecular formula C97H115N21O4 and a molecular weight of 1639.13 g/mol. Its IUPAC name is 1,6-dimethylbenzimidazole;3,5-dimethyl-1H-benzimidazol-2-one;3,6-dimethyl-1,4-dihydroquinazolin-2-one;(3R)-3,6-dimethyl-3,4-dihydro-1H-quinolin-2-one;3,6-dimethylimidazo[1,2-a]pyridine;1,6-dimethylindazole;1,6-dimethylindole;2,5-dimethyl-1,3-oxazole;3,5-dimethylpyrazolo[1,5-a]pyridine;bis(1-ethanimidoyl-5-methylpyridin-2-imine).

Molecular Properties

• Compound Name: 1,6-dimethylbenzimidazole;3,5-dimethyl-1H-benzimidazol-2-one;3,6-dimethyl-1,4-dihydroquinazolin-2-one;(3R)-3,6-dimethyl-3,4-dihydro-1H-quinolin-2-one;3,6-dimethylimidazo[1,2-a]pyridine;1,6-dimethylindazole;1,6-dimethylindole;2,5-dimethyl-1,3-oxazole;3,5-dimethylpyrazolo[1,5-a]pyridine;bis(1-ethanimidoyl-5-methylpyridin-2-imine)
• PubChem CID: 161085368
• Molecular Formula: C97H115N21O4
• Molecular Weight: 1639.13 g/mol
• Exact Mass: 1637.94
• IUPAC Name: 1,6-dimethylbenzimidazole;3,5-dimethyl-1H-benzimidazol-2-one;3,6-dimethyl-1,4-dihydroquinazolin-2-one;(3R)-3,6-dimethyl-3,4-dihydro-1H-quinolin-2-one;3,6-dimethylimidazo[1,2-a]pyridine;1,6-dimethylindazole;1,6-dimethylindole;2,5-dimethyl-1,3-oxazole;3,5-dimethylpyrazolo[1,5-a]pyridine;bis(1-ethanimidoyl-5-methylpyridin-2-imine)
• SMILES: Cc1ccc2[nH]c(=O)n(C)c2c1.Cc1ccc2c(c1)CN(C)C(=O)N2.Cc1ccc2c(c1)C[C@@H](C)C(=O)N2.Cc1ccc2ccn(C)c2c1.Cc1ccc2cnn(C)c2c1.Cc1ccc2ncc(C)n2c1.Cc1ccc2ncn(C)c2c1.Cc1ccn2ncc(C)c2c1.Cc1cnc(C)o1.[H]/N=C(\C)n1cc(C)cc/c1=N\[H].[H]/N=C(\C)n1cc(C)cc/c1=N\[H]
• InChI: InChI=1S/C11H13NO.C10H12N2O.C10H11N.C9H10N2O.4C9H10N2.2C8H11N3.C5H7NO/c1-7-3-4-10-9(5-7)6-8(2)11(13)12-10;1-7-3-4-9-8(5-7)6-12(2)10(13)11-9;1-8-3-4-9-5-6-11(2)10(9)7-8;1-6-3-4-7-8(5-6)11(2)9(12)10-7;1-7-3-4-9-10-5-8(2)11(9)6-7;1-7-3-4-8-9(5-7)11(2)6-10-8;1-7-3-4-8-6-10-11(2)9(8)5-7;1-7-3-4-11-9(5-7)8(2)6-10-11;2*1-6-3-4-8(10)11(5-6)7(2)9;1-4-3-6-5(2)7-4/h3-5,8H,6H2,1-2H3,(H,12,13);3-5H,6H2,1-2H3,(H,11,13);3-7H,1-2H3;3-5H,1-2H3,(H,10,12);4*3-6H,1-2H3;2*3-5,9-10H,1-2H3;3H,1-2H3/b;;;;;;;;2*9-7+,10-8+;/t8-;;;;;;;;;;/m1........../s1
• InChIKey: UGKZTBMJBOEVPF-MRQLFQQOSA-N
• XLogP: 18.96
• TPSA: 305.69 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 21
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1639.13
LogP ≤ 5	18.96
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethylbenzimidazole;3,5-dimethyl-1H-benzimidazol-2-one;3,6-dimethyl-1,4-dihydroquinazolin-2-one;(3R)-3,6-dimethyl-3,4-dihydro-1H-quinolin-2-one;3,6-dimethylimidazo[1,2-a]pyridine;1,6-dimethylindazole;1,6-dimethylindole;2,5-dimethyl-1,3-oxazole;3,5-dimethylpyrazolo[1,5-a]pyridine;bis(1-ethanimidoyl-5-methylpyridin-2-imine)?

The IUPAC name of 1,6-dimethylbenzimidazole;3,5-dimethyl-1H-benzimidazol-2-one;3,6-dimethyl-1,4-dihydroquinazolin-2-one;(3R)-3,6-dimethyl-3,4-dihydro-1H-quinolin-2-one;3,6-dimethylimidazo[1,2-a]pyridine;1,6-dimethylindazole;1,6-dimethylindole;2,5-dimethyl-1,3-oxazole;3,5-dimethylpyrazolo[1,5-a]pyridine;bis(1-ethanimidoyl-5-methylpyridin-2-imine) (CID 161085368) is 1,6-dimethylbenzimidazole;3,5-dimethyl-1H-benzimidazol-2-one;3,6-dimethyl-1,4-dihydroquinazolin-2-one;(3R)-3,6-dimethyl-3,4-dihydro-1H-quinolin-2-one;3,6-dimethylimidazo[1,2-a]pyridine;1,6-dimethylindazole;1,6-dimethylindole;2,5-dimethyl-1,3-oxazole;3,5-dimethylpyrazolo[1,5-a]pyridine;bis(1-ethanimidoyl-5-methylpyridin-2-imine).

What is the SMILES notation for 1,6-dimethylbenzimidazole;3,5-dimethyl-1H-benzimidazol-2-one;3,6-dimethyl-1,4-dihydroquinazolin-2-one;(3R)-3,6-dimethyl-3,4-dihydro-1H-quinolin-2-one;3,6-dimethylimidazo[1,2-a]pyridine;1,6-dimethylindazole;1,6-dimethylindole;2,5-dimethyl-1,3-oxazole;3,5-dimethylpyrazolo[1,5-a]pyridine;bis(1-ethanimidoyl-5-methylpyridin-2-imine)?

The canonical SMILES for 1,6-dimethylbenzimidazole;3,5-dimethyl-1H-benzimidazol-2-one;3,6-dimethyl-1,4-dihydroquinazolin-2-one;(3R)-3,6-dimethyl-3,4-dihydro-1H-quinolin-2-one;3,6-dimethylimidazo[1,2-a]pyridine;1,6-dimethylindazole;1,6-dimethylindole;2,5-dimethyl-1,3-oxazole;3,5-dimethylpyrazolo[1,5-a]pyridine;bis(1-ethanimidoyl-5-methylpyridin-2-imine) is Cc1ccc2[nH]c(=O)n(C)c2c1.Cc1ccc2c(c1)CN(C)C(=O)N2.Cc1ccc2c(c1)C[C@@H](C)C(=O)N2.Cc1ccc2ccn(C)c2c1.Cc1ccc2cnn(C)c2c1.Cc1ccc2ncc(C)n2c1.Cc1ccc2ncn(C)c2c1.Cc1ccn2ncc(C)c2c1.Cc1cnc(C)o1.[H]/N=C(\C)n1cc(C)cc/c1=N\[H].[H]/N=C(\C)n1cc(C)cc/c1=N\[H].

What is the InChIKey of 1,6-dimethylbenzimidazole;3,5-dimethyl-1H-benzimidazol-2-one;3,6-dimethyl-1,4-dihydroquinazolin-2-one;(3R)-3,6-dimethyl-3,4-dihydro-1H-quinolin-2-one;3,6-dimethylimidazo[1,2-a]pyridine;1,6-dimethylindazole;1,6-dimethylindole;2,5-dimethyl-1,3-oxazole;3,5-dimethylpyrazolo[1,5-a]pyridine;bis(1-ethanimidoyl-5-methylpyridin-2-imine)?

The InChIKey is UGKZTBMJBOEVPF-MRQLFQQOSA-N. The full InChI is InChI=1S/C11H13NO.C10H12N2O.C10H11N.C9H10N2O.4C9H10N2.2C8H11N3.C5H7NO/c1-7-3-4-10-9(5-7)6-8(2)11(13)12-10;1-7-3-4-9-8(5-7)6-12(2)10(13)11-9;1-8-3-4-9-5-6-11(2)10(9)7-8;1-6-3-4-7-8(5-6)11(2)9(12)10-7;1-7-3-4-9-10-5-8(2)11(9)6-7;1-7-3-4-8-9(5-7)11(2)6-10-8;1-7-3-4-8-6-10-11(2)9(8)5-7;1-7-3-4-11-9(5-7)8(2)6-10-11;2*1-6-3-4-8(10)11(5-6)7(2)9;1-4-3-6-5(2)7-4/h3-5,8H,6H2,1-2H3,(H,12,13);3-5H,6H2,1-2H3,(H,11,13);3-7H,1-2H3;3-5H,1-2H3,(H,10,12);4*3-6H,1-2H3;2*3-5,9-10H,1-2H3;3H,1-2H3/b;;;;;;;;2*9-7+,10-8+;/t8-;;;;;;;;;;/m1........../s1.

What are the key properties of 1,6-dimethylbenzimidazole;3,5-dimethyl-1H-benzimidazol-2-one;3,6-dimethyl-1,4-dihydroquinazolin-2-one;(3R)-3,6-dimethyl-3,4-dihydro-1H-quinolin-2-one;3,6-dimethylimidazo[1,2-a]pyridine;1,6-dimethylindazole;1,6-dimethylindole;2,5-dimethyl-1,3-oxazole;3,5-dimethylpyrazolo[1,5-a]pyridine;bis(1-ethanimidoyl-5-methylpyridin-2-imine)?

1,6-dimethylbenzimidazole;3,5-dimethyl-1H-benzimidazol-2-one;3,6-dimethyl-1,4-dihydroquinazolin-2-one;(3R)-3,6-dimethyl-3,4-dihydro-1H-quinolin-2-one;3,6-dimethylimidazo[1,2-a]pyridine;1,6-dimethylindazole;1,6-dimethylindole;2,5-dimethyl-1,3-oxazole;3,5-dimethylpyrazolo[1,5-a]pyridine;bis(1-ethanimidoyl-5-methylpyridin-2-imine) has a molecular weight of 1639.13 g/mol, XLogP of 18.96, 0 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1,6-dimethylbenzimidazole;3,5-dimethyl-1H-benzimidazol-2-one;3,6-dimethyl-1,4-dihydroquinazolin-2-one;(3R)-3,6-dimethyl-3,4-dihydro-1H-quinolin-2-one;3,6-dimethylimidazo[1,2-a]pyridine;1,6-dimethylindazole;1,6-dimethylindole;2,5-dimethyl-1,3-oxazole;3,5-dimethylpyrazolo[1,5-a]pyridine;bis(1-ethanimidoyl-5-methylpyridin-2-imine) is sourced from PubChem (CID 161085368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).