manganese(2+);methyl 4-[15-(4-methoxycarbonylphenyl)-10,20-bis(1-methylimidazol-2-yl)porphyrin-22,24-diid-5-yl]benzoate

C44H32MnN8O4 — CID 59049276

IUPACmanganese(2+);methyl 4-[15-(4-methoxycarbonylphenyl)-10,20-bis(1-methylimidazol-2-yl)porphyrin-22,24-diid-5-yl]benzoate
SMILESCOC(=O)c1ccc(-c2c3nc(c(-c4nccn4C)c4ccc([n-]4)c(-c4ccc(C(=O)OC)cc4)c4nc(c(-c5nccn5C)c5ccc2[n-]5)C=C4)C=C3)cc1.[Mn+2]
InChIInChI=1S/C44H33N8O4.Mn/c1-51-23-21-45-41(51)39-33-17-13-29(47-33)37(25-5-9-27(10-6-25)43(53)55-3)31-15-19-35(49-31)40(42-46-22-24-52(42)2)36-20-16-32(50-36)38(30-14-18-34(39)48-30)26-7-11-28(12-8-26)44(54)56-4;/h5-24H,1-4H3,(H-,45,46,47,48,49,50,53,54);/q-1;+2/p-1/b37-29-,37-31-,38-30-,38-32-,39-33+,39-34+,40-35+,40-36+;
InChIKeyUUTANJCWOIYVGK-ZETOMPDBSA-M
MW791.73 g/mol
LogP7.62
Rot. Bonds6

About manganese(2+);methyl 4-[15-(4-methoxycarbonylphenyl)-10,20-bis(1-methylimidazol-2-yl)porphyrin-22,24-diid-5-yl]benzoate

manganese(2+);methyl 4-[15-(4-methoxycarbonylphenyl)-10,20-bis(1-methylimidazol-2-yl)porphyrin-22,24-diid-5-yl]benzoate (PubChem CID 59049276) has the molecular formula C44H32MnN8O4 and a molecular weight of 791.73 g/mol. Its IUPAC name is manganese(2+);methyl 4-[15-(4-methoxycarbonylphenyl)-10,20-bis(1-methylimidazol-2-yl)porphyrin-22,24-diid-5-yl]benzoate.

Molecular Properties

Compound Namemanganese(2+);methyl 4-[15-(4-methoxycarbonylphenyl)-10,20-bis(1-methylimidazol-2-yl)porphyrin-22,24-diid-5-yl]benzoate
PubChem CID59049276
Molecular FormulaC44H32MnN8O4
Molecular Weight791.73 g/mol
Exact Mass791.19
IUPAC Namemanganese(2+);methyl 4-[15-(4-methoxycarbonylphenyl)-10,20-bis(1-methylimidazol-2-yl)porphyrin-22,24-diid-5-yl]benzoate
SMILESCOC(=O)c1ccc(-c2c3nc(c(-c4nccn4C)c4ccc([n-]4)c(-c4ccc(C(=O)OC)cc4)c4nc(c(-c5nccn5C)c5ccc2[n-]5)C=C4)C=C3)cc1.[Mn+2]
InChIInChI=1S/C44H33N8O4.Mn/c1-51-23-21-45-41(51)39-33-17-13-29(47-33)37(25-5-9-27(10-6-25)43(53)55-3)31-15-19-35(49-31)40(42-46-22-24-52(42)2)36-20-16-32(50-36)38(30-14-18-34(39)48-30)26-7-11-28(12-8-26)44(54)56-4;/h5-24H,1-4H3,(H-,45,46,47,48,49,50,53,54);/q-1;+2/p-1/b37-29-,37-31-,38-30-,38-32-,39-33+,39-34+,40-35+,40-36+;
InChIKeyUUTANJCWOIYVGK-ZETOMPDBSA-M
XLogP7.62
TPSA142.22 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.73
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze manganese(2+);methyl 4-[15-(4-methoxycarbonylphenyl)-10,20-bis(1-methylimidazol-2-yl)porphyrin-22,24-diid-5-yl]benzoate 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

methyl 4-[[5-[(Z)-(3-benzhydryl-1-butyl-2,5-dioxoimidazolidin-4-ylidene)methyl]-2-butylimidazol-1-yl]methyl]benzoate
CID 10054387
methyl 4-[[2-butyl-5-[(Z)-[1-butyl-2,5-dioxo-3-(2-phenylethyl)imidazolidin-4-ylidene]methyl]imidazol-1-yl]methyl]benzoate
CID 10459992
methyl 4-[[2-butyl-5-[(Z)-[1-butyl-3-[(3-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]imidazol-1-yl]methyl]benzoate
CID 10007528
methyl 4-[[2-butyl-5-[(Z)-[1-butyl-2,5-dioxo-3-(pyridin-2-ylmethyl)imidazolidin-4-ylidene]methyl]imidazol-1-yl]methyl]benzoate
CID 10369701
methyl 4-[[2-butyl-5-[(Z)-[1-butyl-3-[(4-methoxycarbonylphenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]imidazol-1-yl]methyl]benzoate
CID 10371118
4-(2-Phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)-benzoic acid methyl ester
CID 10665884
methyl 4-[[2-butyl-5-[(Z)-[1-butyl-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]imidazol-1-yl]methyl]benzoate
CID 11757112
Methyl 3-[4-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]triazol-1-yl]benzoate
CID 76325326
Methyl 4-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)benzoate
CID 118723476
Methyl 4-(2-phenylimidazo[1,2-a]pyridin-6-yl)benzoate
CID 155559723
Methyl 4-(2-phenylimidazo[1,2-a]pyridin-8-yl)benzoate
CID 156016147
Methyl 4-[4,5-bis[4-(dimethylamino)phenyl]-1-hexylimidazol-2-yl]benzoate
CID 15512300

Frequently Asked Questions

What is the IUPAC name of manganese(2+);methyl 4-[15-(4-methoxycarbonylphenyl)-10,20-bis(1-methylimidazol-2-yl)porphyrin-22,24-diid-5-yl]benzoate?
The IUPAC name of manganese(2+);methyl 4-[15-(4-methoxycarbonylphenyl)-10,20-bis(1-methylimidazol-2-yl)porphyrin-22,24-diid-5-yl]benzoate (CID 59049276) is manganese(2+);methyl 4-[15-(4-methoxycarbonylphenyl)-10,20-bis(1-methylimidazol-2-yl)porphyrin-22,24-diid-5-yl]benzoate.
What is the SMILES notation for manganese(2+);methyl 4-[15-(4-methoxycarbonylphenyl)-10,20-bis(1-methylimidazol-2-yl)porphyrin-22,24-diid-5-yl]benzoate?
The canonical SMILES for manganese(2+);methyl 4-[15-(4-methoxycarbonylphenyl)-10,20-bis(1-methylimidazol-2-yl)porphyrin-22,24-diid-5-yl]benzoate is COC(=O)c1ccc(-c2c3nc(c(-c4nccn4C)c4ccc([n-]4)c(-c4ccc(C(=O)OC)cc4)c4nc(c(-c5nccn5C)c5ccc2[n-]5)C=C4)C=C3)cc1.[Mn+2].
What is the InChIKey of manganese(2+);methyl 4-[15-(4-methoxycarbonylphenyl)-10,20-bis(1-methylimidazol-2-yl)porphyrin-22,24-diid-5-yl]benzoate?
The InChIKey is UUTANJCWOIYVGK-ZETOMPDBSA-M. The full InChI is InChI=1S/C44H33N8O4.Mn/c1-51-23-21-45-41(51)39-33-17-13-29(47-33)37(25-5-9-27(10-6-25)43(53)55-3)31-15-19-35(49-31)40(42-46-22-24-52(42)2)36-20-16-32(50-36)38(30-14-18-34(39)48-30)26-7-11-28(12-8-26)44(54)56-4;/h5-24H,1-4H3,(H-,45,46,47,48,49,50,53,54);/q-1;+2/p-1/b37-29-,37-31-,38-30-,38-32-,39-33+,39-34+,40-35+,40-36+;.
What are the key properties of manganese(2+);methyl 4-[15-(4-methoxycarbonylphenyl)-10,20-bis(1-methylimidazol-2-yl)porphyrin-22,24-diid-5-yl]benzoate?
manganese(2+);methyl 4-[15-(4-methoxycarbonylphenyl)-10,20-bis(1-methylimidazol-2-yl)porphyrin-22,24-diid-5-yl]benzoate has a molecular weight of 791.73 g/mol, XLogP of 7.62, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for manganese(2+);methyl 4-[15-(4-methoxycarbonylphenyl)-10,20-bis(1-methylimidazol-2-yl)porphyrin-22,24-diid-5-yl]benzoate is sourced from PubChem (CID 59049276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).