2-methoxy-1-[4-(2-methyl-6-propan-2-ylbenzimidazol-1-yl)piperidin-1-yl]ethanone;1-methylidene-4-(7-propan-2-ylisoquinolin-1-yl)-1,4-thiazinane 1-oxide;1-[2-(6-propan-2-ylbenzimidazol-1-yl)phenyl]ethenamine;4-(7-propan-2-ylisoquinolin-1-yl)morpholine;1-[4-(7-propan-2-ylisoquinolin-1-yl)piperazin-1-yl]ethanone

C88H111N13O5S — CID 160621895

About 2-methoxy-1-[4-(2-methyl-6-propan-2-ylbenzimidazol-1-yl)piperidin-1-yl]ethanone;1-methylidene-4-(7-propan-2-ylisoquinolin-1-yl)-1,4-thiazinane 1-oxide;1-[2-(6-propan-2-ylbenzimidazol-1-yl)phenyl]ethenamine;4-(7-propan-2-ylisoquinolin-1-yl)morpholine;1-[4-(7-propan-2-ylisoquinolin-1-yl)piperazin-1-yl]ethanone

2-methoxy-1-[4-(2-methyl-6-propan-2-ylbenzimidazol-1-yl)piperidin-1-yl]ethanone;1-methylidene-4-(7-propan-2-ylisoquinolin-1-yl)-1,4-thiazinane 1-oxide;1-[2-(6-propan-2-ylbenzimidazol-1-yl)phenyl]ethenamine;4-(7-propan-2-ylisoquinolin-1-yl)morpholine;1-[4-(7-propan-2-ylisoquinolin-1-yl)piperazin-1-yl]ethanone (PubChem CID 160621895) has the molecular formula C88H111N13O5S and a molecular weight of 1463.01 g/mol. Its IUPAC name is 2-methoxy-1-[4-(2-methyl-6-propan-2-ylbenzimidazol-1-yl)piperidin-1-yl]ethanone;1-methylidene-4-(7-propan-2-ylisoquinolin-1-yl)-1,4-thiazinane 1-oxide;1-[2-(6-propan-2-ylbenzimidazol-1-yl)phenyl]ethenamine;4-(7-propan-2-ylisoquinolin-1-yl)morpholine;1-[4-(7-propan-2-ylisoquinolin-1-yl)piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-methoxy-1-[4-(2-methyl-6-propan-2-ylbenzimidazol-1-yl)piperidin-1-yl]ethanone;1-methylidene-4-(7-propan-2-ylisoquinolin-1-yl)-1,4-thiazinane 1-oxide;1-[2-(6-propan-2-ylbenzimidazol-1-yl)phenyl]ethenamine;4-(7-propan-2-ylisoquinolin-1-yl)morpholine;1-[4-(7-propan-2-ylisoquinolin-1-yl)piperazin-1-yl]ethanone
• PubChem CID: 160621895
• Molecular Formula: C88H111N13O5S
• Molecular Weight: 1463.01 g/mol
• Exact Mass: 1461.86
• IUPAC Name: 2-methoxy-1-[4-(2-methyl-6-propan-2-ylbenzimidazol-1-yl)piperidin-1-yl]ethanone;1-methylidene-4-(7-propan-2-ylisoquinolin-1-yl)-1,4-thiazinane 1-oxide;1-[2-(6-propan-2-ylbenzimidazol-1-yl)phenyl]ethenamine;4-(7-propan-2-ylisoquinolin-1-yl)morpholine;1-[4-(7-propan-2-ylisoquinolin-1-yl)piperazin-1-yl]ethanone
• SMILES: C=C(N)c1ccccc1-n1cnc2ccc(C(C)C)cc21.C=S1(=O)CCN(c2nccc3ccc(C(C)C)cc23)CC1.CC(=O)N1CCN(c2nccc3ccc(C(C)C)cc23)CC1.CC(C)c1ccc2ccnc(N3CCOCC3)c2c1.COCC(=O)N1CCC(n2c(C)nc3ccc(C(C)C)cc32)CC1
• InChI: InChI=1S/C19H27N3O2.C18H23N3O.C18H19N3.C17H22N2OS.C16H20N2O/c1-13(2)15-5-6-17-18(11-15)22(14(3)20-17)16-7-9-21(10-8-16)19(23)12-24-4;1-13(2)16-5-4-15-6-7-19-18(17(15)12-16)21-10-8-20(9-11-21)14(3)22;1-12(2)14-8-9-16-18(10-14)21(11-20-16)17-7-5-4-6-15(17)13(3)19;1-13(2)15-5-4-14-6-7-18-17(16(14)12-15)19-8-10-21(3,20)11-9-19;1-12(2)14-4-3-13-5-6-17-16(15(13)11-14)18-7-9-19-10-8-18/h5-6,11,13,16H,7-10,12H2,1-4H3;4-7,12-13H,8-11H2,1-3H3;4-12H,3,19H2,1-2H3;4-7,12-13H,3,8-11H2,1-2H3;3-6,11-12H,7-10H2,1-2H3
• InChIKey: RGURKRQMSIJFTJ-UHFFFAOYSA-N
• XLogP: 16.47
• TPSA: 186.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 16
• Rotatable Bonds: 13
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1463.01
LogP ≤ 5	16.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[4-(2-methyl-6-propan-2-ylbenzimidazol-1-yl)piperidin-1-yl]ethanone;1-methylidene-4-(7-propan-2-ylisoquinolin-1-yl)-1,4-thiazinane 1-oxide;1-[2-(6-propan-2-ylbenzimidazol-1-yl)phenyl]ethenamine;4-(7-propan-2-ylisoquinolin-1-yl)morpholine;1-[4-(7-propan-2-ylisoquinolin-1-yl)piperazin-1-yl]ethanone?

The IUPAC name of 2-methoxy-1-[4-(2-methyl-6-propan-2-ylbenzimidazol-1-yl)piperidin-1-yl]ethanone;1-methylidene-4-(7-propan-2-ylisoquinolin-1-yl)-1,4-thiazinane 1-oxide;1-[2-(6-propan-2-ylbenzimidazol-1-yl)phenyl]ethenamine;4-(7-propan-2-ylisoquinolin-1-yl)morpholine;1-[4-(7-propan-2-ylisoquinolin-1-yl)piperazin-1-yl]ethanone (CID 160621895) is 2-methoxy-1-[4-(2-methyl-6-propan-2-ylbenzimidazol-1-yl)piperidin-1-yl]ethanone;1-methylidene-4-(7-propan-2-ylisoquinolin-1-yl)-1,4-thiazinane 1-oxide;1-[2-(6-propan-2-ylbenzimidazol-1-yl)phenyl]ethenamine;4-(7-propan-2-ylisoquinolin-1-yl)morpholine;1-[4-(7-propan-2-ylisoquinolin-1-yl)piperazin-1-yl]ethanone.

What is the SMILES notation for 2-methoxy-1-[4-(2-methyl-6-propan-2-ylbenzimidazol-1-yl)piperidin-1-yl]ethanone;1-methylidene-4-(7-propan-2-ylisoquinolin-1-yl)-1,4-thiazinane 1-oxide;1-[2-(6-propan-2-ylbenzimidazol-1-yl)phenyl]ethenamine;4-(7-propan-2-ylisoquinolin-1-yl)morpholine;1-[4-(7-propan-2-ylisoquinolin-1-yl)piperazin-1-yl]ethanone?

The canonical SMILES for 2-methoxy-1-[4-(2-methyl-6-propan-2-ylbenzimidazol-1-yl)piperidin-1-yl]ethanone;1-methylidene-4-(7-propan-2-ylisoquinolin-1-yl)-1,4-thiazinane 1-oxide;1-[2-(6-propan-2-ylbenzimidazol-1-yl)phenyl]ethenamine;4-(7-propan-2-ylisoquinolin-1-yl)morpholine;1-[4-(7-propan-2-ylisoquinolin-1-yl)piperazin-1-yl]ethanone is C=C(N)c1ccccc1-n1cnc2ccc(C(C)C)cc21.C=S1(=O)CCN(c2nccc3ccc(C(C)C)cc23)CC1.CC(=O)N1CCN(c2nccc3ccc(C(C)C)cc23)CC1.CC(C)c1ccc2ccnc(N3CCOCC3)c2c1.COCC(=O)N1CCC(n2c(C)nc3ccc(C(C)C)cc32)CC1.

What is the InChIKey of 2-methoxy-1-[4-(2-methyl-6-propan-2-ylbenzimidazol-1-yl)piperidin-1-yl]ethanone;1-methylidene-4-(7-propan-2-ylisoquinolin-1-yl)-1,4-thiazinane 1-oxide;1-[2-(6-propan-2-ylbenzimidazol-1-yl)phenyl]ethenamine;4-(7-propan-2-ylisoquinolin-1-yl)morpholine;1-[4-(7-propan-2-ylisoquinolin-1-yl)piperazin-1-yl]ethanone?

The InChIKey is RGURKRQMSIJFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2.C18H23N3O.C18H19N3.C17H22N2OS.C16H20N2O/c1-13(2)15-5-6-17-18(11-15)22(14(3)20-17)16-7-9-21(10-8-16)19(23)12-24-4;1-13(2)16-5-4-15-6-7-19-18(17(15)12-16)21-10-8-20(9-11-21)14(3)22;1-12(2)14-8-9-16-18(10-14)21(11-20-16)17-7-5-4-6-15(17)13(3)19;1-13(2)15-5-4-14-6-7-18-17(16(14)12-15)19-8-10-21(3,20)11-9-19;1-12(2)14-4-3-13-5-6-17-16(15(13)11-14)18-7-9-19-10-8-18/h5-6,11,13,16H,7-10,12H2,1-4H3;4-7,12-13H,8-11H2,1-3H3;4-12H,3,19H2,1-2H3;4-7,12-13H,3,8-11H2,1-2H3;3-6,11-12H,7-10H2,1-2H3.

What are the key properties of 2-methoxy-1-[4-(2-methyl-6-propan-2-ylbenzimidazol-1-yl)piperidin-1-yl]ethanone;1-methylidene-4-(7-propan-2-ylisoquinolin-1-yl)-1,4-thiazinane 1-oxide;1-[2-(6-propan-2-ylbenzimidazol-1-yl)phenyl]ethenamine;4-(7-propan-2-ylisoquinolin-1-yl)morpholine;1-[4-(7-propan-2-ylisoquinolin-1-yl)piperazin-1-yl]ethanone?

2-methoxy-1-[4-(2-methyl-6-propan-2-ylbenzimidazol-1-yl)piperidin-1-yl]ethanone;1-methylidene-4-(7-propan-2-ylisoquinolin-1-yl)-1,4-thiazinane 1-oxide;1-[2-(6-propan-2-ylbenzimidazol-1-yl)phenyl]ethenamine;4-(7-propan-2-ylisoquinolin-1-yl)morpholine;1-[4-(7-propan-2-ylisoquinolin-1-yl)piperazin-1-yl]ethanone has a molecular weight of 1463.01 g/mol, XLogP of 16.47, 13 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxy-1-[4-(2-methyl-6-propan-2-ylbenzimidazol-1-yl)piperidin-1-yl]ethanone;1-methylidene-4-(7-propan-2-ylisoquinolin-1-yl)-1,4-thiazinane 1-oxide;1-[2-(6-propan-2-ylbenzimidazol-1-yl)phenyl]ethenamine;4-(7-propan-2-ylisoquinolin-1-yl)morpholine;1-[4-(7-propan-2-ylisoquinolin-1-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 160621895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).