bis(manganese(2+));bis(N-[(1-methylimidazol-2-yl)methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine);diacetate;diperchlorate

C38H44Cl2Mn2N10O12 — CID 139133293

IUPACbis(manganese(2+));bis(N-[(1-methylimidazol-2-yl)methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine);diacetate;diperchlorate
SMILESCC(=O)[O-].CC(=O)[O-].Cn1ccnc1CN(Cc1ccccn1)Cc1ccccn1.Cn1ccnc1CN(Cc1ccccn1)Cc1ccccn1.[Mn+2].[Mn+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/2C17H19N5.2C2H4O2.2ClHO4.2Mn/c2*1-21-11-10-20-17(21)14-22(12-15-6-2-4-8-18-15)13-16-7-3-5-9-19-16;2*1-2(3)4;2*2-1(3,4)5;;/h2*2-11H,12-14H2,1H3;2*1H3,(H,3,4);2*(H,2,3,4,5);;/q;;;;;;2*+2/p-4
InChIKeyBEVQSYNQKTTYCQ-UHFFFAOYSA-J
MW1013.61 g/mol
LogP-7.18
Rot. Bonds12

About bis(manganese(2+));bis(N-[(1-methylimidazol-2-yl)methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine);diacetate;diperchlorate

bis(manganese(2+));bis(N-[(1-methylimidazol-2-yl)methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine);diacetate;diperchlorate (PubChem CID 139133293) has the molecular formula C38H44Cl2Mn2N10O12 and a molecular weight of 1013.61 g/mol. Its IUPAC name is bis(manganese(2+));bis(N-[(1-methylimidazol-2-yl)methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine);diacetate;diperchlorate.

Molecular Properties

Compound Namebis(manganese(2+));bis(N-[(1-methylimidazol-2-yl)methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine);diacetate;diperchlorate
PubChem CID139133293
Molecular FormulaC38H44Cl2Mn2N10O12
Molecular Weight1013.61 g/mol
Exact Mass1012.13
IUPAC Namebis(manganese(2+));bis(N-[(1-methylimidazol-2-yl)methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine);diacetate;diperchlorate
SMILESCC(=O)[O-].CC(=O)[O-].Cn1ccnc1CN(Cc1ccccn1)Cc1ccccn1.Cn1ccnc1CN(Cc1ccccn1)Cc1ccccn1.[Mn+2].[Mn+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/2C17H19N5.2C2H4O2.2ClHO4.2Mn/c2*1-21-11-10-20-17(21)14-22(12-15-6-2-4-8-18-15)13-16-7-3-5-9-19-16;2*1-2(3)4;2*2-1(3,4)5;;/h2*2-11H,12-14H2,1H3;2*1H3,(H,3,4);2*(H,2,3,4,5);;/q;;;;;;2*+2/p-4
InChIKeyBEVQSYNQKTTYCQ-UHFFFAOYSA-J
XLogP-7.18
TPSA358.42 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds12
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001013.61
LogP ≤ 5-7.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze bis(manganese(2+));bis(N-[(1-methylimidazol-2-yl)methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine);diacetate;diperchlorate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 139133294
CID 139133294
CID 139133295
CID 139133295
CID 139166600
CID 139166600
CID 139170969
CID 139170969
CID 139183809
CID 139183809
CID 139203773
CID 139203773
CID 139238916
CID 139238916
CID 168309035
CID 168309035
CID 168309157
CID 168309157
CID 162272796
CID 162272796
CID 171575301
CID 171575301
CID 173718023
CID 173718023

Frequently Asked Questions

What is the IUPAC name of bis(manganese(2+));bis(N-[(1-methylimidazol-2-yl)methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine);diacetate;diperchlorate?
The IUPAC name of bis(manganese(2+));bis(N-[(1-methylimidazol-2-yl)methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine);diacetate;diperchlorate (CID 139133293) is bis(manganese(2+));bis(N-[(1-methylimidazol-2-yl)methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine);diacetate;diperchlorate.
What is the SMILES notation for bis(manganese(2+));bis(N-[(1-methylimidazol-2-yl)methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine);diacetate;diperchlorate?
The canonical SMILES for bis(manganese(2+));bis(N-[(1-methylimidazol-2-yl)methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine);diacetate;diperchlorate is CC(=O)[O-].CC(=O)[O-].Cn1ccnc1CN(Cc1ccccn1)Cc1ccccn1.Cn1ccnc1CN(Cc1ccccn1)Cc1ccccn1.[Mn+2].[Mn+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of bis(manganese(2+));bis(N-[(1-methylimidazol-2-yl)methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine);diacetate;diperchlorate?
The InChIKey is BEVQSYNQKTTYCQ-UHFFFAOYSA-J. The full InChI is InChI=1S/2C17H19N5.2C2H4O2.2ClHO4.2Mn/c2*1-21-11-10-20-17(21)14-22(12-15-6-2-4-8-18-15)13-16-7-3-5-9-19-16;2*1-2(3)4;2*2-1(3,4)5;;/h2*2-11H,12-14H2,1H3;2*1H3,(H,3,4);2*(H,2,3,4,5);;/q;;;;;;2*+2/p-4.
What are the key properties of bis(manganese(2+));bis(N-[(1-methylimidazol-2-yl)methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine);diacetate;diperchlorate?
bis(manganese(2+));bis(N-[(1-methylimidazol-2-yl)methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine);diacetate;diperchlorate has a molecular weight of 1013.61 g/mol, XLogP of -7.18, 12 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for bis(manganese(2+));bis(N-[(1-methylimidazol-2-yl)methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine);diacetate;diperchlorate is sourced from PubChem (CID 139133293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).