2-bromo-6-[2-[(2R)-2-(3-bromo-5-chloro-2-hydroxyphenyl)-3-[2-[(2R)-2-(3-bromo-5-chloro-2-hydroxyphenyl)-3-[2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]ethyl]imidazolidin-1-yl]ethyl]imidazolidin-1-yl]ethyliminomethyl]-4-chlorophenol

C38H36Br4Cl4N6O4 — CID 136753141

IUPAC2-bromo-6-[2-[(2R)-2-(3-bromo-5-chloro-2-hydroxyphenyl)-3-[2-[(2R)-2-(3-bromo-5-chloro-2-hydroxyphenyl)-3-[2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]ethyl]imidazolidin-1-yl]ethyl]imidazolidin-1-yl]ethyliminomethyl]-4-chlorophenol
SMILESOc1c(Br)cc(Cl)cc1/C=N/CCN1CCN(CCN2CCN(CC/N=C/c3cc(Cl)cc(Br)c3O)[C@H]2c2cc(Cl)cc(Br)c2O)[C@@H]1c1cc(Cl)cc(Br)c1O
InChIInChI=1S/C38H36Br4Cl4N6O4/c39-29-15-23(43)11-21(33(29)53)19-47-1-3-49-5-7-51(37(49)27-13-25(45)17-31(41)35(27)55)9-10-52-8-6-50(38(52)28-14-26(46)18-32(42)36(28)56)4-2-48-20-22-12-24(44)16-30(40)34(22)54/h11-20,37-38,53-56H,1-10H2/b47-19+,48-20+/t37-,38-/m1/s1
InChIKeyISGZDVWZXIRFFV-BXKXVKLPSA-N
MW1102.17 g/mol
LogP10.34
Rot. Bonds13

About 2-bromo-6-[2-[(2R)-2-(3-bromo-5-chloro-2-hydroxyphenyl)-3-[2-[(2R)-2-(3-bromo-5-chloro-2-hydroxyphenyl)-3-[2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]ethyl]imidazolidin-1-yl]ethyl]imidazolidin-1-yl]ethyliminomethyl]-4-chlorophenol

2-bromo-6-[2-[(2R)-2-(3-bromo-5-chloro-2-hydroxyphenyl)-3-[2-[(2R)-2-(3-bromo-5-chloro-2-hydroxyphenyl)-3-[2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]ethyl]imidazolidin-1-yl]ethyl]imidazolidin-1-yl]ethyliminomethyl]-4-chlorophenol (PubChem CID 136753141) has the molecular formula C38H36Br4Cl4N6O4 and a molecular weight of 1102.17 g/mol. Its IUPAC name is 2-bromo-6-[2-[(2R)-2-(3-bromo-5-chloro-2-hydroxyphenyl)-3-[2-[(2R)-2-(3-bromo-5-chloro-2-hydroxyphenyl)-3-[2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]ethyl]imidazolidin-1-yl]ethyl]imidazolidin-1-yl]ethyliminomethyl]-4-chlorophenol.

Molecular Properties

Compound Name2-bromo-6-[2-[(2R)-2-(3-bromo-5-chloro-2-hydroxyphenyl)-3-[2-[(2R)-2-(3-bromo-5-chloro-2-hydroxyphenyl)-3-[2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]ethyl]imidazolidin-1-yl]ethyl]imidazolidin-1-yl]ethyliminomethyl]-4-chlorophenol
PubChem CID136753141
Molecular FormulaC38H36Br4Cl4N6O4
Molecular Weight1102.17 g/mol
Exact Mass1095.83
IUPAC Name2-bromo-6-[2-[(2R)-2-(3-bromo-5-chloro-2-hydroxyphenyl)-3-[2-[(2R)-2-(3-bromo-5-chloro-2-hydroxyphenyl)-3-[2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]ethyl]imidazolidin-1-yl]ethyl]imidazolidin-1-yl]ethyliminomethyl]-4-chlorophenol
SMILESOc1c(Br)cc(Cl)cc1/C=N/CCN1CCN(CCN2CCN(CC/N=C/c3cc(Cl)cc(Br)c3O)[C@H]2c2cc(Cl)cc(Br)c2O)[C@@H]1c1cc(Cl)cc(Br)c1O
InChIInChI=1S/C38H36Br4Cl4N6O4/c39-29-15-23(43)11-21(33(29)53)19-47-1-3-49-5-7-51(37(49)27-13-25(45)17-31(41)35(27)55)9-10-52-8-6-50(38(52)28-14-26(46)18-32(42)36(28)56)4-2-48-20-22-12-24(44)16-30(40)34(22)54/h11-20,37-38,53-56H,1-10H2/b47-19+,48-20+/t37-,38-/m1/s1
InChIKeyISGZDVWZXIRFFV-BXKXVKLPSA-N
XLogP10.34
TPSA118.60 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001102.17
LogP ≤ 510.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-bromo-6-[2-[(2R)-2-(3-bromo-5-chloro-2-hydroxyphenyl)-3-[2-[(2R)-2-(3-bromo-5-chloro-2-hydroxyphenyl)-3-[2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]ethyl]imidazolidin-1-yl]ethyl]imidazolidin-1-yl]ethyliminomethyl]-4-chlorophenol with MolForge

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Related Compounds

2-bromo-4-chloro-6-[2-(2-hydroxyethylamino)ethyliminomethyl]phenol
CID 139201615
2-bromo-4-chloro-6-[2-(propylamino)ethyliminomethyl]phenol
CID 135912099
2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]acetic acid
CID 136811178
2-bromo-4-chloro-6-methanehydrazonoylphenol
CID 136503874
2,4-dichloro-6-[6-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]hexyliminomethyl]phenol
CID 3884626
2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]guanidine
CID 168592991
1-[3-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]propyl]pyrrolidin-2-one
CID 135595142
2,6-dibromo-4-chlorophenol
CID 21394
2-bromo-4-chloro-6-[(3-hydroxyphenyl)iminomethyl]phenol
CID 162660236
N-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]methanesulfonamide
CID 727419
2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-1-(1-methylpiperidin-2-yl)ethanone
CID 158757229
4-chloro-2-(2-piperazin-1-ylethyliminomethyl)phenol
CID 135659262

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[2-[(2R)-2-(3-bromo-5-chloro-2-hydroxyphenyl)-3-[2-[(2R)-2-(3-bromo-5-chloro-2-hydroxyphenyl)-3-[2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]ethyl]imidazolidin-1-yl]ethyl]imidazolidin-1-yl]ethyliminomethyl]-4-chlorophenol?
The IUPAC name of 2-bromo-6-[2-[(2R)-2-(3-bromo-5-chloro-2-hydroxyphenyl)-3-[2-[(2R)-2-(3-bromo-5-chloro-2-hydroxyphenyl)-3-[2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]ethyl]imidazolidin-1-yl]ethyl]imidazolidin-1-yl]ethyliminomethyl]-4-chlorophenol (CID 136753141) is 2-bromo-6-[2-[(2R)-2-(3-bromo-5-chloro-2-hydroxyphenyl)-3-[2-[(2R)-2-(3-bromo-5-chloro-2-hydroxyphenyl)-3-[2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]ethyl]imidazolidin-1-yl]ethyl]imidazolidin-1-yl]ethyliminomethyl]-4-chlorophenol.
What is the SMILES notation for 2-bromo-6-[2-[(2R)-2-(3-bromo-5-chloro-2-hydroxyphenyl)-3-[2-[(2R)-2-(3-bromo-5-chloro-2-hydroxyphenyl)-3-[2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]ethyl]imidazolidin-1-yl]ethyl]imidazolidin-1-yl]ethyliminomethyl]-4-chlorophenol?
The canonical SMILES for 2-bromo-6-[2-[(2R)-2-(3-bromo-5-chloro-2-hydroxyphenyl)-3-[2-[(2R)-2-(3-bromo-5-chloro-2-hydroxyphenyl)-3-[2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]ethyl]imidazolidin-1-yl]ethyl]imidazolidin-1-yl]ethyliminomethyl]-4-chlorophenol is Oc1c(Br)cc(Cl)cc1/C=N/CCN1CCN(CCN2CCN(CC/N=C/c3cc(Cl)cc(Br)c3O)[C@H]2c2cc(Cl)cc(Br)c2O)[C@@H]1c1cc(Cl)cc(Br)c1O.
What is the InChIKey of 2-bromo-6-[2-[(2R)-2-(3-bromo-5-chloro-2-hydroxyphenyl)-3-[2-[(2R)-2-(3-bromo-5-chloro-2-hydroxyphenyl)-3-[2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]ethyl]imidazolidin-1-yl]ethyl]imidazolidin-1-yl]ethyliminomethyl]-4-chlorophenol?
The InChIKey is ISGZDVWZXIRFFV-BXKXVKLPSA-N. The full InChI is InChI=1S/C38H36Br4Cl4N6O4/c39-29-15-23(43)11-21(33(29)53)19-47-1-3-49-5-7-51(37(49)27-13-25(45)17-31(41)35(27)55)9-10-52-8-6-50(38(52)28-14-26(46)18-32(42)36(28)56)4-2-48-20-22-12-24(44)16-30(40)34(22)54/h11-20,37-38,53-56H,1-10H2/b47-19+,48-20+/t37-,38-/m1/s1.
What are the key properties of 2-bromo-6-[2-[(2R)-2-(3-bromo-5-chloro-2-hydroxyphenyl)-3-[2-[(2R)-2-(3-bromo-5-chloro-2-hydroxyphenyl)-3-[2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]ethyl]imidazolidin-1-yl]ethyl]imidazolidin-1-yl]ethyliminomethyl]-4-chlorophenol?
2-bromo-6-[2-[(2R)-2-(3-bromo-5-chloro-2-hydroxyphenyl)-3-[2-[(2R)-2-(3-bromo-5-chloro-2-hydroxyphenyl)-3-[2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]ethyl]imidazolidin-1-yl]ethyl]imidazolidin-1-yl]ethyliminomethyl]-4-chlorophenol has a molecular weight of 1102.17 g/mol, XLogP of 10.34, 13 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[2-[(2R)-2-(3-bromo-5-chloro-2-hydroxyphenyl)-3-[2-[(2R)-2-(3-bromo-5-chloro-2-hydroxyphenyl)-3-[2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]ethyl]imidazolidin-1-yl]ethyl]imidazolidin-1-yl]ethyliminomethyl]-4-chlorophenol is sourced from PubChem (CID 136753141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).