2-[[6-[[N-(2-aminoethyl)-3,5-dimethylanilino]methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;tert-butyl N-[2-[N-[[3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methyl]-3,5-dimethylanilino]ethyl]carbamate;oxolane

C73H102N14O7 — CID 158668384

About 2-[[6-[[N-(2-aminoethyl)-3,5-dimethylanilino]methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;tert-butyl N-[2-[N-[[3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methyl]-3,5-dimethylanilino]ethyl]carbamate;oxolane

2-[[6-[[N-(2-aminoethyl)-3,5-dimethylanilino]methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;tert-butyl N-[2-[N-[[3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methyl]-3,5-dimethylanilino]ethyl]carbamate;oxolane (PubChem CID 158668384) has the molecular formula C73H102N14O7 and a molecular weight of 1287.71 g/mol. Its IUPAC name is 2-[[6-[[N-(2-aminoethyl)-3,5-dimethylanilino]methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;tert-butyl N-[2-[N-[[3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methyl]-3,5-dimethylanilino]ethyl]carbamate;oxolane.

Molecular Properties

• Compound Name: 2-[[6-[[N-(2-aminoethyl)-3,5-dimethylanilino]methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;tert-butyl N-[2-[N-[[3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methyl]-3,5-dimethylanilino]ethyl]carbamate;oxolane
• PubChem CID: 158668384
• Molecular Formula: C73H102N14O7
• Molecular Weight: 1287.71 g/mol
• Exact Mass: 1286.81
• IUPAC Name: 2-[[6-[[N-(2-aminoethyl)-3,5-dimethylanilino]methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;tert-butyl N-[2-[N-[[3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methyl]-3,5-dimethylanilino]ethyl]carbamate;oxolane
• SMILES: C1CCOC1.Cc1cc(C)cc(N(CCN)Cc2ccc3nc(NCCCN4CCOCC4)n(Cc4nc(C)ccc4O)c3c2)c1.Cc1cc(C)cc(N(CCNC(=O)OC(C)(C)C)Cc2ccc3nc(NCCCN4CCOCC4)n(Cc4nc(C)ccc4O)c3c2)c1
• InChI: InChI=1S/C37H51N7O4.C32H43N7O2.C4H8O/c1-26-20-27(2)22-30(21-26)43(15-13-39-36(46)48-37(4,5)6)24-29-9-10-31-33(23-29)44(25-32-34(45)11-8-28(3)40-32)35(41-31)38-12-7-14-42-16-18-47-19-17-42;1-23-17-24(2)19-27(18-23)38(12-9-33)21-26-6-7-28-30(20-26)39(22-29-31(40)8-5-25(3)35-29)32(36-28)34-10-4-11-37-13-15-41-16-14-37;1-2-4-5-3-1/h8-11,20-23,45H,7,12-19,24-25H2,1-6H3,(H,38,41)(H,39,46);5-8,17-20,40H,4,9-16,21-22,33H2,1-3H3,(H,34,36);1-4H2
• InChIKey: IDQJJUOQUSJYEF-UHFFFAOYSA-N
• XLogP: 10.78
• TPSA: 230.94 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 20
• Rotatable Bonds: 25
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1287.71
LogP ≤ 5	10.78
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[[N-(2-aminoethyl)-3,5-dimethylanilino]methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;tert-butyl N-[2-[N-[[3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methyl]-3,5-dimethylanilino]ethyl]carbamate;oxolane?

The IUPAC name of 2-[[6-[[N-(2-aminoethyl)-3,5-dimethylanilino]methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;tert-butyl N-[2-[N-[[3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methyl]-3,5-dimethylanilino]ethyl]carbamate;oxolane (CID 158668384) is 2-[[6-[[N-(2-aminoethyl)-3,5-dimethylanilino]methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;tert-butyl N-[2-[N-[[3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methyl]-3,5-dimethylanilino]ethyl]carbamate;oxolane.

What is the SMILES notation for 2-[[6-[[N-(2-aminoethyl)-3,5-dimethylanilino]methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;tert-butyl N-[2-[N-[[3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methyl]-3,5-dimethylanilino]ethyl]carbamate;oxolane?

The canonical SMILES for 2-[[6-[[N-(2-aminoethyl)-3,5-dimethylanilino]methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;tert-butyl N-[2-[N-[[3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methyl]-3,5-dimethylanilino]ethyl]carbamate;oxolane is C1CCOC1.Cc1cc(C)cc(N(CCN)Cc2ccc3nc(NCCCN4CCOCC4)n(Cc4nc(C)ccc4O)c3c2)c1.Cc1cc(C)cc(N(CCNC(=O)OC(C)(C)C)Cc2ccc3nc(NCCCN4CCOCC4)n(Cc4nc(C)ccc4O)c3c2)c1.

What is the InChIKey of 2-[[6-[[N-(2-aminoethyl)-3,5-dimethylanilino]methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;tert-butyl N-[2-[N-[[3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methyl]-3,5-dimethylanilino]ethyl]carbamate;oxolane?

The InChIKey is IDQJJUOQUSJYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H51N7O4.C32H43N7O2.C4H8O/c1-26-20-27(2)22-30(21-26)43(15-13-39-36(46)48-37(4,5)6)24-29-9-10-31-33(23-29)44(25-32-34(45)11-8-28(3)40-32)35(41-31)38-12-7-14-42-16-18-47-19-17-42;1-23-17-24(2)19-27(18-23)38(12-9-33)21-26-6-7-28-30(20-26)39(22-29-31(40)8-5-25(3)35-29)32(36-28)34-10-4-11-37-13-15-41-16-14-37;1-2-4-5-3-1/h8-11,20-23,45H,7,12-19,24-25H2,1-6H3,(H,38,41)(H,39,46);5-8,17-20,40H,4,9-16,21-22,33H2,1-3H3,(H,34,36);1-4H2.

What are the key properties of 2-[[6-[[N-(2-aminoethyl)-3,5-dimethylanilino]methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;tert-butyl N-[2-[N-[[3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methyl]-3,5-dimethylanilino]ethyl]carbamate;oxolane?

2-[[6-[[N-(2-aminoethyl)-3,5-dimethylanilino]methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;tert-butyl N-[2-[N-[[3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methyl]-3,5-dimethylanilino]ethyl]carbamate;oxolane has a molecular weight of 1287.71 g/mol, XLogP of 10.78, 25 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[6-[[N-(2-aminoethyl)-3,5-dimethylanilino]methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;tert-butyl N-[2-[N-[[3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methyl]-3,5-dimethylanilino]ethyl]carbamate;oxolane is sourced from PubChem (CID 158668384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).