N-(3-aminopropyl)-N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-2-methoxybenzamide;N-(3-aminopropyl)-N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-3-methylbenzamide;N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-5,6-dimethylbenzimidazol-2-yl)-2-methylpropyl]-4-methylbenzamide

C₈₉H₁₀₆N₁₂O₄ — CID 159320861

About N-(3-aminopropyl)-N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-2-methoxybenzamide;N-(3-aminopropyl)-N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-3-methylbenzamide;N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-5,6-dimethylbenzimidazol-2-yl)-2-methylpropyl]-4-methylbenzamide

N-(3-aminopropyl)-N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-2-methoxybenzamide;N-(3-aminopropyl)-N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-3-methylbenzamide;N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-5,6-dimethylbenzimidazol-2-yl)-2-methylpropyl]-4-methylbenzamide (PubChem CID 159320861) has the molecular formula C₈₉H₁₀₆N₁₂O₄ and a molecular weight of 1407.91 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-2-methoxybenzamide;N-(3-aminopropyl)-N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-3-methylbenzamide;N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-5,6-dimethylbenzimidazol-2-yl)-2-methylpropyl]-4-methylbenzamide.

Molecular Properties

• Compound Name: N-(3-aminopropyl)-N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-2-methoxybenzamide;N-(3-aminopropyl)-N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-3-methylbenzamide;N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-5,6-dimethylbenzimidazol-2-yl)-2-methylpropyl]-4-methylbenzamide
• PubChem CID: 159320861
• Molecular Formula: C₈₉H₁₀₆N₁₂O₄
• Molecular Weight: 1407.91 g/mol
• Exact Mass: 1406.85
• IUPAC Name: N-(3-aminopropyl)-N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-2-methoxybenzamide;N-(3-aminopropyl)-N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-3-methylbenzamide;N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-5,6-dimethylbenzimidazol-2-yl)-2-methylpropyl]-4-methylbenzamide
• SMILES: COc1ccccc1C(=O)N(CCCN)[C@@H](c1nc2ccccc2n1Cc1ccccc1)C(C)C.Cc1ccc(C(=O)N(CCCN)[C@@H](c2nc3cc(C)c(C)cc3n2Cc2ccccc2)C(C)C)cc1.Cc1cccc(C(=O)N(CCCN)[C@@H](c2nc3ccccc3n2Cc2ccccc2)C(C)C)c1
• InChI: InChI=1S/C31H38N4O.C29H34N4O2.C29H34N4O/c1-21(2)29(34(17-9-16-32)31(36)26-14-12-22(3)13-15-26)30-33-27-18-23(4)24(5)19-28(27)35(30)20-25-10-7-6-8-11-25;1-21(2)27(32(19-11-18-30)29(34)23-14-7-10-17-26(23)35-3)28-31-24-15-8-9-16-25(24)33(28)20-22-12-5-4-6-13-22;1-21(2)27(32(18-10-17-30)29(34)24-14-9-11-22(3)19-24)28-31-25-15-7-8-16-26(25)33(28)20-23-12-5-4-6-13-23/h6-8,10-15,18-19,21,29H,9,16-17,20,32H2,1-5H3;4-10,12-17,21,27H,11,18-20,30H2,1-3H3;4-9,11-16,19,21,27H,10,17-18,20,30H2,1-3H3/t29-;2*27-/m111/s1
• InChIKey: LDTAAQICMHAUIP-GZEDOXGJSA-N
• XLogP: 17.06
• TPSA: 201.68 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 28
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1407.91
LogP ≤ 5	17.06
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-2-methoxybenzamide;N-(3-aminopropyl)-N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-3-methylbenzamide;N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-5,6-dimethylbenzimidazol-2-yl)-2-methylpropyl]-4-methylbenzamide?

The IUPAC name of N-(3-aminopropyl)-N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-2-methoxybenzamide;N-(3-aminopropyl)-N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-3-methylbenzamide;N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-5,6-dimethylbenzimidazol-2-yl)-2-methylpropyl]-4-methylbenzamide (CID 159320861) is N-(3-aminopropyl)-N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-2-methoxybenzamide;N-(3-aminopropyl)-N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-3-methylbenzamide;N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-5,6-dimethylbenzimidazol-2-yl)-2-methylpropyl]-4-methylbenzamide.

What is the SMILES notation for N-(3-aminopropyl)-N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-2-methoxybenzamide;N-(3-aminopropyl)-N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-3-methylbenzamide;N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-5,6-dimethylbenzimidazol-2-yl)-2-methylpropyl]-4-methylbenzamide?

The canonical SMILES for N-(3-aminopropyl)-N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-2-methoxybenzamide;N-(3-aminopropyl)-N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-3-methylbenzamide;N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-5,6-dimethylbenzimidazol-2-yl)-2-methylpropyl]-4-methylbenzamide is COc1ccccc1C(=O)N(CCCN)[C@@H](c1nc2ccccc2n1Cc1ccccc1)C(C)C.Cc1ccc(C(=O)N(CCCN)[C@@H](c2nc3cc(C)c(C)cc3n2Cc2ccccc2)C(C)C)cc1.Cc1cccc(C(=O)N(CCCN)[C@@H](c2nc3ccccc3n2Cc2ccccc2)C(C)C)c1.

What is the InChIKey of N-(3-aminopropyl)-N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-2-methoxybenzamide;N-(3-aminopropyl)-N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-3-methylbenzamide;N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-5,6-dimethylbenzimidazol-2-yl)-2-methylpropyl]-4-methylbenzamide?

The InChIKey is LDTAAQICMHAUIP-GZEDOXGJSA-N. The full InChI is InChI=1S/C31H38N4O.C29H34N4O2.C29H34N4O/c1-21(2)29(34(17-9-16-32)31(36)26-14-12-22(3)13-15-26)30-33-27-18-23(4)24(5)19-28(27)35(30)20-25-10-7-6-8-11-25;1-21(2)27(32(19-11-18-30)29(34)23-14-7-10-17-26(23)35-3)28-31-24-15-8-9-16-25(24)33(28)20-22-12-5-4-6-13-22;1-21(2)27(32(18-10-17-30)29(34)24-14-9-11-22(3)19-24)28-31-25-15-7-8-16-26(25)33(28)20-23-12-5-4-6-13-23/h6-8,10-15,18-19,21,29H,9,16-17,20,32H2,1-5H3;4-10,12-17,21,27H,11,18-20,30H2,1-3H3;4-9,11-16,19,21,27H,10,17-18,20,30H2,1-3H3/t29-;2*27-/m111/s1.

What are the key properties of N-(3-aminopropyl)-N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-2-methoxybenzamide;N-(3-aminopropyl)-N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-3-methylbenzamide;N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-5,6-dimethylbenzimidazol-2-yl)-2-methylpropyl]-4-methylbenzamide?

N-(3-aminopropyl)-N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-2-methoxybenzamide;N-(3-aminopropyl)-N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-3-methylbenzamide;N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-5,6-dimethylbenzimidazol-2-yl)-2-methylpropyl]-4-methylbenzamide has a molecular weight of 1407.91 g/mol, XLogP of 17.06, 28 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-aminopropyl)-N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-2-methoxybenzamide;N-(3-aminopropyl)-N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-3-methylbenzamide;N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-5,6-dimethylbenzimidazol-2-yl)-2-methylpropyl]-4-methylbenzamide is sourced from PubChem (CID 159320861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159320861 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.