dioxomanganese;methyl 2-[4-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-2-pyridinyl]-4,5-dihydro-1H-imidazole-5-carboxylate;methyl 2-[4-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-2-pyridinyl]-1H-imidazole-5-carboxylate

C52H42Cl2F6MnN8O10 — CID 158702086

IUPACdioxomanganese;methyl 2-[4-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-2-pyridinyl]-4,5-dihydro-1H-imidazole-5-carboxylate;methyl 2-[4-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-2-pyridinyl]-1H-imidazole-5-carboxylate
SMILESCOC(=O)C1CN=C(c2cc(Oc3cccc(CCC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)c3)ccn2)N1.COC(=O)c1cnc(-c2cc(Oc3cccc(CCC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)c3)ccn2)[nH]1.O=[Mn]=O
InChIInChI=1S/C26H22ClF3N4O4.C26H20ClF3N4O4.Mn.2O/c2*1-37-25(36)22-14-32-24(34-22)21-13-18(9-10-31-21)38-17-4-2-3-15(11-17)5-8-23(35)33-16-6-7-20(27)19(12-16)26(28,29)30;;;/h2-4,6-7,9-13,22H,5,8,14H2,1H3,(H,32,34)(H,33,35);2-4,6-7,9-14H,5,8H2,1H3,(H,32,34)(H,33,35);;;
InChIKeyLGDKHEJXNXYANR-UHFFFAOYSA-N
MW1178.79 g/mol
LogP11.06
Rot. Bonds16

About dioxomanganese;methyl 2-[4-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-2-pyridinyl]-4,5-dihydro-1H-imidazole-5-carboxylate;methyl 2-[4-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-2-pyridinyl]-1H-imidazole-5-carboxylate

dioxomanganese;methyl 2-[4-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-2-pyridinyl]-4,5-dihydro-1H-imidazole-5-carboxylate;methyl 2-[4-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-2-pyridinyl]-1H-imidazole-5-carboxylate (PubChem CID 158702086) has the molecular formula C52H42Cl2F6MnN8O10 and a molecular weight of 1178.79 g/mol. Its IUPAC name is dioxomanganese;methyl 2-[4-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-2-pyridinyl]-4,5-dihydro-1H-imidazole-5-carboxylate;methyl 2-[4-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-2-pyridinyl]-1H-imidazole-5-carboxylate.

Molecular Properties

Compound Namedioxomanganese;methyl 2-[4-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-2-pyridinyl]-4,5-dihydro-1H-imidazole-5-carboxylate;methyl 2-[4-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-2-pyridinyl]-1H-imidazole-5-carboxylate
PubChem CID158702086
Molecular FormulaC52H42Cl2F6MnN8O10
Molecular Weight1178.79 g/mol
Exact Mass1177.17
IUPAC Namedioxomanganese;methyl 2-[4-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-2-pyridinyl]-4,5-dihydro-1H-imidazole-5-carboxylate;methyl 2-[4-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-2-pyridinyl]-1H-imidazole-5-carboxylate
SMILESCOC(=O)C1CN=C(c2cc(Oc3cccc(CCC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)c3)ccn2)N1.COC(=O)c1cnc(-c2cc(Oc3cccc(CCC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)c3)ccn2)[nH]1.O=[Mn]=O
InChIInChI=1S/C26H22ClF3N4O4.C26H20ClF3N4O4.Mn.2O/c2*1-37-25(36)22-14-32-24(34-22)21-13-18(9-10-31-21)38-17-4-2-3-15(11-17)5-8-23(35)33-16-6-7-20(27)19(12-16)26(28,29)30;;;/h2-4,6-7,9-13,22H,5,8,14H2,1H3,(H,32,34)(H,33,35);2-4,6-7,9-14H,5,8H2,1H3,(H,32,34)(H,33,35);;;
InChIKeyLGDKHEJXNXYANR-UHFFFAOYSA-N
XLogP11.06
TPSA242.25 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds16
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001178.79
LogP ≤ 511.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Analyze dioxomanganese;methyl 2-[4-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-2-pyridinyl]-4,5-dihydro-1H-imidazole-5-carboxylate;methyl 2-[4-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-2-pyridinyl]-1H-imidazole-5-carboxylate with MolForge

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Related Compounds

3-[3-[[2-(5-acetyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide
CID 58674312
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[2-(1H-imidazol-2-yl)pyridin-4-yl]oxyphenyl]propanamide
CID 58674315
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[2-[5-(morpholine-4-carbonyl)-1H-imidazol-2-yl]pyridin-4-yl]oxyphenyl]propanamide
CID 58674330
2-[4-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]pyridin-2-yl]-N,N-dimethyl-1H-imidazole-5-carboxamide
CID 58674355
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[2-[5-(hydroxymethyl)-1H-imidazol-2-yl]pyridin-4-yl]oxyphenyl]propanamide
CID 58674364
ethyl 2-{4-[3-(3-{[4-chloro-3-(trifluoromethyl)-phenyl]amino}-3-oxopropyl)phenoxy]pyridin-2-yl}-1H-imidazole-5-carboxylate
CID 58674379
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[2-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]pyridin-4-yl]oxyphenyl]propanamide
CID 58674383
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[2-[5-(pyrrolidin-1-ylmethyl)-1H-imidazol-2-yl]pyridin-4-yl]oxyphenyl]propanamide
CID 58674408
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[2-[5-(4-methylpiperazine-1-carbonyl)-1H-imidazol-2-yl]pyridin-4-yl]oxyphenyl]propanamide
CID 58674411
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[2-[5-[[2-(dimethylamino)ethylamino]methyl]-1H-imidazol-2-yl]pyridin-4-yl]oxyphenyl]propanamide
CID 58674437
methyl 2-[4-[3-[(E)-3-[4-fluoro-3-(trifluoromethyl)anilino]-3-oxoprop-1-enyl]phenoxy]pyridin-2-yl]-1H-imidazole-5-carboxylate
CID 58674466
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[2-(5-methyl-1H-imidazol-2-yl)pyridin-4-yl]oxyphenyl]propanamide
CID 58674480

Frequently Asked Questions

What is the IUPAC name of dioxomanganese;methyl 2-[4-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-2-pyridinyl]-4,5-dihydro-1H-imidazole-5-carboxylate;methyl 2-[4-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-2-pyridinyl]-1H-imidazole-5-carboxylate?
The IUPAC name of dioxomanganese;methyl 2-[4-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-2-pyridinyl]-4,5-dihydro-1H-imidazole-5-carboxylate;methyl 2-[4-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-2-pyridinyl]-1H-imidazole-5-carboxylate (CID 158702086) is dioxomanganese;methyl 2-[4-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-2-pyridinyl]-4,5-dihydro-1H-imidazole-5-carboxylate;methyl 2-[4-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-2-pyridinyl]-1H-imidazole-5-carboxylate.
What is the SMILES notation for dioxomanganese;methyl 2-[4-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-2-pyridinyl]-4,5-dihydro-1H-imidazole-5-carboxylate;methyl 2-[4-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-2-pyridinyl]-1H-imidazole-5-carboxylate?
The canonical SMILES for dioxomanganese;methyl 2-[4-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-2-pyridinyl]-4,5-dihydro-1H-imidazole-5-carboxylate;methyl 2-[4-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-2-pyridinyl]-1H-imidazole-5-carboxylate is COC(=O)C1CN=C(c2cc(Oc3cccc(CCC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)c3)ccn2)N1.COC(=O)c1cnc(-c2cc(Oc3cccc(CCC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)c3)ccn2)[nH]1.O=[Mn]=O.
What is the InChIKey of dioxomanganese;methyl 2-[4-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-2-pyridinyl]-4,5-dihydro-1H-imidazole-5-carboxylate;methyl 2-[4-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-2-pyridinyl]-1H-imidazole-5-carboxylate?
The InChIKey is LGDKHEJXNXYANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClF3N4O4.C26H20ClF3N4O4.Mn.2O/c2*1-37-25(36)22-14-32-24(34-22)21-13-18(9-10-31-21)38-17-4-2-3-15(11-17)5-8-23(35)33-16-6-7-20(27)19(12-16)26(28,29)30;;;/h2-4,6-7,9-13,22H,5,8,14H2,1H3,(H,32,34)(H,33,35);2-4,6-7,9-14H,5,8H2,1H3,(H,32,34)(H,33,35);;;.
What are the key properties of dioxomanganese;methyl 2-[4-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-2-pyridinyl]-4,5-dihydro-1H-imidazole-5-carboxylate;methyl 2-[4-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-2-pyridinyl]-1H-imidazole-5-carboxylate?
dioxomanganese;methyl 2-[4-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-2-pyridinyl]-4,5-dihydro-1H-imidazole-5-carboxylate;methyl 2-[4-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-2-pyridinyl]-1H-imidazole-5-carboxylate has a molecular weight of 1178.79 g/mol, XLogP of 11.06, 16 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for dioxomanganese;methyl 2-[4-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-2-pyridinyl]-4,5-dihydro-1H-imidazole-5-carboxylate;methyl 2-[4-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-2-pyridinyl]-1H-imidazole-5-carboxylate is sourced from PubChem (CID 158702086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).