bis(N,N-dimethylformamide);manganese(2+);1-(1-methylbenzimidazol-2-yl)-N,N-bis[(1-methylbenzimidazol-2-yl)methyl]methanamine;2-methylprop-2-enoate;perchlorate

C37H46ClMnN9O8 — CID 139079745

About bis(N,N-dimethylformamide);manganese(2+);1-(1-methylbenzimidazol-2-yl)-N,N-bis[(1-methylbenzimidazol-2-yl)methyl]methanamine;2-methylprop-2-enoate;perchlorate

bis(N,N-dimethylformamide);manganese(2+);1-(1-methylbenzimidazol-2-yl)-N,N-bis[(1-methylbenzimidazol-2-yl)methyl]methanamine;2-methylprop-2-enoate;perchlorate (PubChem CID 139079745) has the molecular formula C37H46ClMnN9O8 and a molecular weight of 835.22 g/mol. Its IUPAC name is bis(N,N-dimethylformamide);manganese(2+);1-(1-methylbenzimidazol-2-yl)-N,N-bis[(1-methylbenzimidazol-2-yl)methyl]methanamine;2-methylprop-2-enoate;perchlorate.

Molecular Properties

• Compound Name: bis(N,N-dimethylformamide);manganese(2+);1-(1-methylbenzimidazol-2-yl)-N,N-bis[(1-methylbenzimidazol-2-yl)methyl]methanamine;2-methylprop-2-enoate;perchlorate
• PubChem CID: 139079745
• Molecular Formula: C37H46ClMnN9O8
• Molecular Weight: 835.22 g/mol
• Exact Mass: 834.25
• IUPAC Name: bis(N,N-dimethylformamide);manganese(2+);1-(1-methylbenzimidazol-2-yl)-N,N-bis[(1-methylbenzimidazol-2-yl)methyl]methanamine;2-methylprop-2-enoate;perchlorate
• SMILES: C=C(C)C(=O)[O-].CN(C)C=O.CN(C)C=O.Cn1c(CN(Cc2nc3ccccc3n2C)Cc2nc3ccccc3n2C)nc2ccccc21.[Mn+2].[O-][Cl+3]([O-])([O-])[O-]
• InChI: InChI=1S/C27H27N7.C4H6O2.2C3H7NO.ClHO4.Mn/c1-31-22-13-7-4-10-19(22)28-25(31)16-34(17-26-29-20-11-5-8-14-23(20)32(26)2)18-27-30-21-12-6-9-15-24(21)33(27)3;1-3(2)4(5)6;2*1-4(2)3-5;2-1(3,4)5;/h4-15H,16-18H2,1-3H3;1H2,2H3,(H,5,6);2*3H,1-2H3;(H,2,3,4,5);/q;;;;;+2/p-2
• InChIKey: KZVIVQGXLJKTIU-UHFFFAOYSA-L
• XLogP: -1.49
• TPSA: 229.69 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 9
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	835.22
LogP ≤ 5	-1.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(N,N-dimethylformamide);manganese(2+);1-(1-methylbenzimidazol-2-yl)-N,N-bis[(1-methylbenzimidazol-2-yl)methyl]methanamine;2-methylprop-2-enoate;perchlorate?

The IUPAC name of bis(N,N-dimethylformamide);manganese(2+);1-(1-methylbenzimidazol-2-yl)-N,N-bis[(1-methylbenzimidazol-2-yl)methyl]methanamine;2-methylprop-2-enoate;perchlorate (CID 139079745) is bis(N,N-dimethylformamide);manganese(2+);1-(1-methylbenzimidazol-2-yl)-N,N-bis[(1-methylbenzimidazol-2-yl)methyl]methanamine;2-methylprop-2-enoate;perchlorate.

What is the SMILES notation for bis(N,N-dimethylformamide);manganese(2+);1-(1-methylbenzimidazol-2-yl)-N,N-bis[(1-methylbenzimidazol-2-yl)methyl]methanamine;2-methylprop-2-enoate;perchlorate?

The canonical SMILES for bis(N,N-dimethylformamide);manganese(2+);1-(1-methylbenzimidazol-2-yl)-N,N-bis[(1-methylbenzimidazol-2-yl)methyl]methanamine;2-methylprop-2-enoate;perchlorate is C=C(C)C(=O)[O-].CN(C)C=O.CN(C)C=O.Cn1c(CN(Cc2nc3ccccc3n2C)Cc2nc3ccccc3n2C)nc2ccccc21.[Mn+2].[O-][Cl+3]([O-])([O-])[O-].

What is the InChIKey of bis(N,N-dimethylformamide);manganese(2+);1-(1-methylbenzimidazol-2-yl)-N,N-bis[(1-methylbenzimidazol-2-yl)methyl]methanamine;2-methylprop-2-enoate;perchlorate?

The InChIKey is KZVIVQGXLJKTIU-UHFFFAOYSA-L. The full InChI is InChI=1S/C27H27N7.C4H6O2.2C3H7NO.ClHO4.Mn/c1-31-22-13-7-4-10-19(22)28-25(31)16-34(17-26-29-20-11-5-8-14-23(20)32(26)2)18-27-30-21-12-6-9-15-24(21)33(27)3;1-3(2)4(5)6;2*1-4(2)3-5;2-1(3,4)5;/h4-15H,16-18H2,1-3H3;1H2,2H3,(H,5,6);2*3H,1-2H3;(H,2,3,4,5);/q;;;;;+2/p-2.

What are the key properties of bis(N,N-dimethylformamide);manganese(2+);1-(1-methylbenzimidazol-2-yl)-N,N-bis[(1-methylbenzimidazol-2-yl)methyl]methanamine;2-methylprop-2-enoate;perchlorate?

bis(N,N-dimethylformamide);manganese(2+);1-(1-methylbenzimidazol-2-yl)-N,N-bis[(1-methylbenzimidazol-2-yl)methyl]methanamine;2-methylprop-2-enoate;perchlorate has a molecular weight of 835.22 g/mol, XLogP of -1.49, 9 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for bis(N,N-dimethylformamide);manganese(2+);1-(1-methylbenzimidazol-2-yl)-N,N-bis[(1-methylbenzimidazol-2-yl)methyl]methanamine;2-methylprop-2-enoate;perchlorate is sourced from PubChem (CID 139079745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).