1,6-dimethylbenzimidazole;2,7-dimethyl-3,4-dihydro-1H-isoquinoline;2,7-dimethyl-3,4-dihydroisoquinolin-1-one;1,4-dimethylpiperidine;ethylbenzene;2-methoxy-4-methylpyridine;2-methoxy-5-methylpyridine;6-methyl-1H-benzimidazole;methylcyclohexane;4-methylcyclohexan-1-one;7-methyl-3,4-dihydro-2H-isoquinolin-1-one;6-methyl-1H-indazole;1-methyl-3-methylidenecyclohexane;1-methyl-4-propylpiperidine;4-methyl-1H-pyridin-2-one;5-methyl-1H-pyridin-2-one;7-methyl-1,2,3,4-tetrahydroisoquinoline

C139H194N16O7 — CID 159570655

About 1,6-dimethylbenzimidazole;2,7-dimethyl-3,4-dihydro-1H-isoquinoline;2,7-dimethyl-3,4-dihydroisoquinolin-1-one;1,4-dimethylpiperidine;ethylbenzene;2-methoxy-4-methylpyridine;2-methoxy-5-methylpyridine;6-methyl-1H-benzimidazole;methylcyclohexane;4-methylcyclohexan-1-one;7-methyl-3,4-dihydro-2H-isoquinolin-1-one;6-methyl-1H-indazole;1-methyl-3-methylidenecyclohexane;1-methyl-4-propylpiperidine;4-methyl-1H-pyridin-2-one;5-methyl-1H-pyridin-2-one;7-methyl-1,2,3,4-tetrahydroisoquinoline

1,6-dimethylbenzimidazole;2,7-dimethyl-3,4-dihydro-1H-isoquinoline;2,7-dimethyl-3,4-dihydroisoquinolin-1-one;1,4-dimethylpiperidine;ethylbenzene;2-methoxy-4-methylpyridine;2-methoxy-5-methylpyridine;6-methyl-1H-benzimidazole;methylcyclohexane;4-methylcyclohexan-1-one;7-methyl-3,4-dihydro-2H-isoquinolin-1-one;6-methyl-1H-indazole;1-methyl-3-methylidenecyclohexane;1-methyl-4-propylpiperidine;4-methyl-1H-pyridin-2-one;5-methyl-1H-pyridin-2-one;7-methyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 159570655) has the molecular formula C139H194N16O7 and a molecular weight of 2201.19 g/mol. Its IUPAC name is 1,6-dimethylbenzimidazole;2,7-dimethyl-3,4-dihydro-1H-isoquinoline;2,7-dimethyl-3,4-dihydroisoquinolin-1-one;1,4-dimethylpiperidine;ethylbenzene;2-methoxy-4-methylpyridine;2-methoxy-5-methylpyridine;6-methyl-1H-benzimidazole;methylcyclohexane;4-methylcyclohexan-1-one;7-methyl-3,4-dihydro-2H-isoquinolin-1-one;6-methyl-1H-indazole;1-methyl-3-methylidenecyclohexane;1-methyl-4-propylpiperidine;4-methyl-1H-pyridin-2-one;5-methyl-1H-pyridin-2-one;7-methyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

• Compound Name: 1,6-dimethylbenzimidazole;2,7-dimethyl-3,4-dihydro-1H-isoquinoline;2,7-dimethyl-3,4-dihydroisoquinolin-1-one;1,4-dimethylpiperidine;ethylbenzene;2-methoxy-4-methylpyridine;2-methoxy-5-methylpyridine;6-methyl-1H-benzimidazole;methylcyclohexane;4-methylcyclohexan-1-one;7-methyl-3,4-dihydro-2H-isoquinolin-1-one;6-methyl-1H-indazole;1-methyl-3-methylidenecyclohexane;1-methyl-4-propylpiperidine;4-methyl-1H-pyridin-2-one;5-methyl-1H-pyridin-2-one;7-methyl-1,2,3,4-tetrahydroisoquinoline
• PubChem CID: 159570655
• Molecular Formula: C139H194N16O7
• Molecular Weight: 2201.19 g/mol
• Exact Mass: 2199.53
• IUPAC Name: 1,6-dimethylbenzimidazole;2,7-dimethyl-3,4-dihydro-1H-isoquinoline;2,7-dimethyl-3,4-dihydroisoquinolin-1-one;1,4-dimethylpiperidine;ethylbenzene;2-methoxy-4-methylpyridine;2-methoxy-5-methylpyridine;6-methyl-1H-benzimidazole;methylcyclohexane;4-methylcyclohexan-1-one;7-methyl-3,4-dihydro-2H-isoquinolin-1-one;6-methyl-1H-indazole;1-methyl-3-methylidenecyclohexane;1-methyl-4-propylpiperidine;4-methyl-1H-pyridin-2-one;5-methyl-1H-pyridin-2-one;7-methyl-1,2,3,4-tetrahydroisoquinoline
• SMILES: C=C1CCCC(C)C1.CC1CCC(=O)CC1.CC1CCCCC1.CC1CCN(C)CC1.CCCC1CCN(C)CC1.CCc1ccccc1.COc1cc(C)ccn1.COc1ccc(C)cn1.Cc1cc[nH]c(=O)c1.Cc1ccc(=O)[nH]c1.Cc1ccc2c(c1)C(=O)N(C)CC2.Cc1ccc2c(c1)C(=O)NCC2.Cc1ccc2c(c1)CN(C)CC2.Cc1ccc2c(c1)CNCC2.Cc1ccc2cn[nH]c2c1.Cc1ccc2nc[nH]c2c1.Cc1ccc2ncn(C)c2c1
• InChI: InChI=1S/C11H13NO.C11H15N.C10H11NO.C10H13N.C9H10N2.C9H19N.2C8H8N2.C8H14.C8H10.2C7H9NO.C7H15N.C7H12O.C7H14.2C6H7NO/c1-8-3-4-9-5-6-12(2)11(13)10(9)7-8;1-9-3-4-10-5-6-12(2)8-11(10)7-9;1-7-2-3-8-4-5-11-10(12)9(8)6-7;1-8-2-3-9-4-5-11-7-10(9)6-8;1-7-3-4-8-9(5-7)11(2)6-10-8;1-3-4-9-5-7-10(2)8-6-9;1-6-2-3-7-8(4-6)10-5-9-7;1-6-2-3-7-5-9-10-8(7)4-6;1-7-4-3-5-8(2)6-7;1-2-8-6-4-3-5-7-8;1-6-3-4-8-7(5-6)9-2;1-6-3-4-7(9-2)8-5-6;1-7-3-5-8(2)6-4-7;1-6-2-4-7(8)5-3-6;1-7-5-3-2-4-6-7;1-5-2-3-7-6(8)4-5;1-5-2-3-6(8)7-4-5/h3-4,7H,5-6H2,1-2H3;3-4,7H,5-6,8H2,1-2H3;2-3,6H,4-5H2,1H3,(H,11,12);2-3,6,11H,4-5,7H2,1H3;3-6H,1-2H3;9H,3-8H2,1-2H3;2*2-5H,1H3,(H,9,10);8H,1,3-6H2,2H3;3-7H,2H2,1H3;2*3-5H,1-2H3;7H,3-6H2,1-2H3;6H,2-5H2,1H3;7H,2-6H2,1H3;2*2-4H,1H3,(H,7,8)
• InChIKey: MHTPVGRAQBFNNL-UHFFFAOYSA-N
• XLogP: 29.15
• TPSA: 273.37 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 17
• Rotatable Bonds: 5
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2201.19
LogP ≤ 5	29.15
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethylbenzimidazole;2,7-dimethyl-3,4-dihydro-1H-isoquinoline;2,7-dimethyl-3,4-dihydroisoquinolin-1-one;1,4-dimethylpiperidine;ethylbenzene;2-methoxy-4-methylpyridine;2-methoxy-5-methylpyridine;6-methyl-1H-benzimidazole;methylcyclohexane;4-methylcyclohexan-1-one;7-methyl-3,4-dihydro-2H-isoquinolin-1-one;6-methyl-1H-indazole;1-methyl-3-methylidenecyclohexane;1-methyl-4-propylpiperidine;4-methyl-1H-pyridin-2-one;5-methyl-1H-pyridin-2-one;7-methyl-1,2,3,4-tetrahydroisoquinoline?

The IUPAC name of 1,6-dimethylbenzimidazole;2,7-dimethyl-3,4-dihydro-1H-isoquinoline;2,7-dimethyl-3,4-dihydroisoquinolin-1-one;1,4-dimethylpiperidine;ethylbenzene;2-methoxy-4-methylpyridine;2-methoxy-5-methylpyridine;6-methyl-1H-benzimidazole;methylcyclohexane;4-methylcyclohexan-1-one;7-methyl-3,4-dihydro-2H-isoquinolin-1-one;6-methyl-1H-indazole;1-methyl-3-methylidenecyclohexane;1-methyl-4-propylpiperidine;4-methyl-1H-pyridin-2-one;5-methyl-1H-pyridin-2-one;7-methyl-1,2,3,4-tetrahydroisoquinoline (CID 159570655) is 1,6-dimethylbenzimidazole;2,7-dimethyl-3,4-dihydro-1H-isoquinoline;2,7-dimethyl-3,4-dihydroisoquinolin-1-one;1,4-dimethylpiperidine;ethylbenzene;2-methoxy-4-methylpyridine;2-methoxy-5-methylpyridine;6-methyl-1H-benzimidazole;methylcyclohexane;4-methylcyclohexan-1-one;7-methyl-3,4-dihydro-2H-isoquinolin-1-one;6-methyl-1H-indazole;1-methyl-3-methylidenecyclohexane;1-methyl-4-propylpiperidine;4-methyl-1H-pyridin-2-one;5-methyl-1H-pyridin-2-one;7-methyl-1,2,3,4-tetrahydroisoquinoline.

What is the SMILES notation for 1,6-dimethylbenzimidazole;2,7-dimethyl-3,4-dihydro-1H-isoquinoline;2,7-dimethyl-3,4-dihydroisoquinolin-1-one;1,4-dimethylpiperidine;ethylbenzene;2-methoxy-4-methylpyridine;2-methoxy-5-methylpyridine;6-methyl-1H-benzimidazole;methylcyclohexane;4-methylcyclohexan-1-one;7-methyl-3,4-dihydro-2H-isoquinolin-1-one;6-methyl-1H-indazole;1-methyl-3-methylidenecyclohexane;1-methyl-4-propylpiperidine;4-methyl-1H-pyridin-2-one;5-methyl-1H-pyridin-2-one;7-methyl-1,2,3,4-tetrahydroisoquinoline?

The canonical SMILES for 1,6-dimethylbenzimidazole;2,7-dimethyl-3,4-dihydro-1H-isoquinoline;2,7-dimethyl-3,4-dihydroisoquinolin-1-one;1,4-dimethylpiperidine;ethylbenzene;2-methoxy-4-methylpyridine;2-methoxy-5-methylpyridine;6-methyl-1H-benzimidazole;methylcyclohexane;4-methylcyclohexan-1-one;7-methyl-3,4-dihydro-2H-isoquinolin-1-one;6-methyl-1H-indazole;1-methyl-3-methylidenecyclohexane;1-methyl-4-propylpiperidine;4-methyl-1H-pyridin-2-one;5-methyl-1H-pyridin-2-one;7-methyl-1,2,3,4-tetrahydroisoquinoline is C=C1CCCC(C)C1.CC1CCC(=O)CC1.CC1CCCCC1.CC1CCN(C)CC1.CCCC1CCN(C)CC1.CCc1ccccc1.COc1cc(C)ccn1.COc1ccc(C)cn1.Cc1cc[nH]c(=O)c1.Cc1ccc(=O)[nH]c1.Cc1ccc2c(c1)C(=O)N(C)CC2.Cc1ccc2c(c1)C(=O)NCC2.Cc1ccc2c(c1)CN(C)CC2.Cc1ccc2c(c1)CNCC2.Cc1ccc2cn[nH]c2c1.Cc1ccc2nc[nH]c2c1.Cc1ccc2ncn(C)c2c1.

What is the InChIKey of 1,6-dimethylbenzimidazole;2,7-dimethyl-3,4-dihydro-1H-isoquinoline;2,7-dimethyl-3,4-dihydroisoquinolin-1-one;1,4-dimethylpiperidine;ethylbenzene;2-methoxy-4-methylpyridine;2-methoxy-5-methylpyridine;6-methyl-1H-benzimidazole;methylcyclohexane;4-methylcyclohexan-1-one;7-methyl-3,4-dihydro-2H-isoquinolin-1-one;6-methyl-1H-indazole;1-methyl-3-methylidenecyclohexane;1-methyl-4-propylpiperidine;4-methyl-1H-pyridin-2-one;5-methyl-1H-pyridin-2-one;7-methyl-1,2,3,4-tetrahydroisoquinoline?

The InChIKey is MHTPVGRAQBFNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO.C11H15N.C10H11NO.C10H13N.C9H10N2.C9H19N.2C8H8N2.C8H14.C8H10.2C7H9NO.C7H15N.C7H12O.C7H14.2C6H7NO/c1-8-3-4-9-5-6-12(2)11(13)10(9)7-8;1-9-3-4-10-5-6-12(2)8-11(10)7-9;1-7-2-3-8-4-5-11-10(12)9(8)6-7;1-8-2-3-9-4-5-11-7-10(9)6-8;1-7-3-4-8-9(5-7)11(2)6-10-8;1-3-4-9-5-7-10(2)8-6-9;1-6-2-3-7-8(4-6)10-5-9-7;1-6-2-3-7-5-9-10-8(7)4-6;1-7-4-3-5-8(2)6-7;1-2-8-6-4-3-5-7-8;1-6-3-4-8-7(5-6)9-2;1-6-3-4-7(9-2)8-5-6;1-7-3-5-8(2)6-4-7;1-6-2-4-7(8)5-3-6;1-7-5-3-2-4-6-7;1-5-2-3-7-6(8)4-5;1-5-2-3-6(8)7-4-5/h3-4,7H,5-6H2,1-2H3;3-4,7H,5-6,8H2,1-2H3;2-3,6H,4-5H2,1H3,(H,11,12);2-3,6,11H,4-5,7H2,1H3;3-6H,1-2H3;9H,3-8H2,1-2H3;2*2-5H,1H3,(H,9,10);8H,1,3-6H2,2H3;3-7H,2H2,1H3;2*3-5H,1-2H3;7H,3-6H2,1-2H3;6H,2-5H2,1H3;7H,2-6H2,1H3;2*2-4H,1H3,(H,7,8).

What are the key properties of 1,6-dimethylbenzimidazole;2,7-dimethyl-3,4-dihydro-1H-isoquinoline;2,7-dimethyl-3,4-dihydroisoquinolin-1-one;1,4-dimethylpiperidine;ethylbenzene;2-methoxy-4-methylpyridine;2-methoxy-5-methylpyridine;6-methyl-1H-benzimidazole;methylcyclohexane;4-methylcyclohexan-1-one;7-methyl-3,4-dihydro-2H-isoquinolin-1-one;6-methyl-1H-indazole;1-methyl-3-methylidenecyclohexane;1-methyl-4-propylpiperidine;4-methyl-1H-pyridin-2-one;5-methyl-1H-pyridin-2-one;7-methyl-1,2,3,4-tetrahydroisoquinoline?

1,6-dimethylbenzimidazole;2,7-dimethyl-3,4-dihydro-1H-isoquinoline;2,7-dimethyl-3,4-dihydroisoquinolin-1-one;1,4-dimethylpiperidine;ethylbenzene;2-methoxy-4-methylpyridine;2-methoxy-5-methylpyridine;6-methyl-1H-benzimidazole;methylcyclohexane;4-methylcyclohexan-1-one;7-methyl-3,4-dihydro-2H-isoquinolin-1-one;6-methyl-1H-indazole;1-methyl-3-methylidenecyclohexane;1-methyl-4-propylpiperidine;4-methyl-1H-pyridin-2-one;5-methyl-1H-pyridin-2-one;7-methyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 2201.19 g/mol, XLogP of 29.15, 5 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 1,6-dimethylbenzimidazole;2,7-dimethyl-3,4-dihydro-1H-isoquinoline;2,7-dimethyl-3,4-dihydroisoquinolin-1-one;1,4-dimethylpiperidine;ethylbenzene;2-methoxy-4-methylpyridine;2-methoxy-5-methylpyridine;6-methyl-1H-benzimidazole;methylcyclohexane;4-methylcyclohexan-1-one;7-methyl-3,4-dihydro-2H-isoquinolin-1-one;6-methyl-1H-indazole;1-methyl-3-methylidenecyclohexane;1-methyl-4-propylpiperidine;4-methyl-1H-pyridin-2-one;5-methyl-1H-pyridin-2-one;7-methyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 159570655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).