2-(1H-benzimidazol-2-yl)ethyl 2,3,5-triiodobenzoate;1H-benzimidazol-2-ylmethyl 2,3,5-triiodobenzoate;3-(1H-benzimidazol-2-yl)propyl 2,3,5-triiodobenzoate;2-(4,5-dihydroimidazol-1-yl)ethyl 2,3,5-triiodobenzoate;1H-imidazol-2-ylmethyl 2,3,5-triiodobenzoate;(2-methylpyrazol-3-yl)methyl 2,3,5-triiodobenzoate;(4-methyl-3H-pyrrol-5-yl)methyl 2,3,5-triiodobenzoate;4-morpholin-4-ylbutyl 2,3,5-triiodobenzoate;2-pyrrolidin-1-ylethyl 2,3,5-triiodobenzoate

C124H102I27N15O19 — CID 159347792

IUPAC2-(1H-benzimidazol-2-yl)ethyl 2,3,5-triiodobenzoate;1H-benzimidazol-2-ylmethyl 2,3,5-triiodobenzoate;3-(1H-benzimidazol-2-yl)propyl 2,3,5-triiodobenzoate;2-(4,5-dihydroimidazol-1-yl)ethyl 2,3,5-triiodobenzoate;1H-imidazol-2-ylmethyl 2,3,5-triiodobenzoate;(2-methylpyrazol-3-yl)methyl 2,3,5-triiodobenzoate;(4-methyl-3H-pyrrol-5-yl)methyl 2,3,5-triiodobenzoate;4-morpholin-4-ylbutyl 2,3,5-triiodobenzoate;2-pyrrolidin-1-ylethyl 2,3,5-triiodobenzoate
SMILESCC1=C(COC(=O)c2cc(I)cc(I)c2I)N=CC1.Cn1nccc1COC(=O)c1cc(I)cc(I)c1I.O=C(OCCCCN1CCOCC1)c1cc(I)cc(I)c1I.O=C(OCCCc1nc2ccccc2[nH]1)c1cc(I)cc(I)c1I.O=C(OCCN1C=NCC1)c1cc(I)cc(I)c1I.O=C(OCCN1CCCC1)c1cc(I)cc(I)c1I.O=C(OCCc1nc2ccccc2[nH]1)c1cc(I)cc(I)c1I.O=C(OCc1nc2ccccc2[nH]1)c1cc(I)cc(I)c1I.O=C(OCc1ncc[nH]1)c1cc(I)cc(I)c1I
InChIInChI=1S/C17H13I3N2O2.C16H11I3N2O2.C15H9I3N2O2.C15H18I3NO3.C13H10I3NO2.C13H14I3NO2.C12H9I3N2O2.C12H11I3N2O2.C11H7I3N2O2/c18-10-8-11(16(20)12(19)9-10)17(23)24-7-3-6-15-21-13-4-1-2-5-14(13)22-15;17-9-7-10(15(19)11(18)8-9)16(22)23-6-5-14-20-12-3-1-2-4-13(12)21-14;16-8-5-9(14(18)10(17)6-8)15(21)22-7-13-19-11-3-1-2-4-12(11)20-13;16-11-9-12(14(18)13(17)10-11)15(20)22-6-2-1-3-19-4-7-21-8-5-19;1-7-2-3-17-11(7)6-19-13(18)9-4-8(14)5-10(15)12(9)16;14-9-7-10(12(16)11(15)8-9)13(18)19-6-5-17-3-1-2-4-17;1-17-8(2-3-16-17)6-19-12(18)9-4-7(13)5-10(14)11(9)15;13-8-5-9(11(15)10(14)6-8)12(18)19-4-3-17-2-1-16-7-17;12-6-3-7(10(14)8(13)4-6)11(17)18-5-9-15-1-2-16-9/h1-2,4-5,8-9H,3,6-7H2,(H,21,22);1-4,7-8H,5-6H2,(H,20,21);1-6H,7H2,(H,19,20);9-10H,1-8H2;3-5H,2,6H2,1H3;7-8H,1-6H2;2-5H,6H2,1H3;5-7H,1-4H2;1-4H,5H2,(H,15,16)
InChIKeyLGYGTLWJQHVBGX-UHFFFAOYSA-N
MW5532.67 g/mol
LogP36.78
Rot. Bonds35

About 2-(1H-benzimidazol-2-yl)ethyl 2,3,5-triiodobenzoate;1H-benzimidazol-2-ylmethyl 2,3,5-triiodobenzoate;3-(1H-benzimidazol-2-yl)propyl 2,3,5-triiodobenzoate;2-(4,5-dihydroimidazol-1-yl)ethyl 2,3,5-triiodobenzoate;1H-imidazol-2-ylmethyl 2,3,5-triiodobenzoate;(2-methylpyrazol-3-yl)methyl 2,3,5-triiodobenzoate;(4-methyl-3H-pyrrol-5-yl)methyl 2,3,5-triiodobenzoate;4-morpholin-4-ylbutyl 2,3,5-triiodobenzoate;2-pyrrolidin-1-ylethyl 2,3,5-triiodobenzoate

2-(1H-benzimidazol-2-yl)ethyl 2,3,5-triiodobenzoate;1H-benzimidazol-2-ylmethyl 2,3,5-triiodobenzoate;3-(1H-benzimidazol-2-yl)propyl 2,3,5-triiodobenzoate;2-(4,5-dihydroimidazol-1-yl)ethyl 2,3,5-triiodobenzoate;1H-imidazol-2-ylmethyl 2,3,5-triiodobenzoate;(2-methylpyrazol-3-yl)methyl 2,3,5-triiodobenzoate;(4-methyl-3H-pyrrol-5-yl)methyl 2,3,5-triiodobenzoate;4-morpholin-4-ylbutyl 2,3,5-triiodobenzoate;2-pyrrolidin-1-ylethyl 2,3,5-triiodobenzoate (PubChem CID 159347792) has the molecular formula C124H102I27N15O19 and a molecular weight of 5532.67 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)ethyl 2,3,5-triiodobenzoate;1H-benzimidazol-2-ylmethyl 2,3,5-triiodobenzoate;3-(1H-benzimidazol-2-yl)propyl 2,3,5-triiodobenzoate;2-(4,5-dihydroimidazol-1-yl)ethyl 2,3,5-triiodobenzoate;1H-imidazol-2-ylmethyl 2,3,5-triiodobenzoate;(2-methylpyrazol-3-yl)methyl 2,3,5-triiodobenzoate;(4-methyl-3H-pyrrol-5-yl)methyl 2,3,5-triiodobenzoate;4-morpholin-4-ylbutyl 2,3,5-triiodobenzoate;2-pyrrolidin-1-ylethyl 2,3,5-triiodobenzoate.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)ethyl 2,3,5-triiodobenzoate;1H-benzimidazol-2-ylmethyl 2,3,5-triiodobenzoate;3-(1H-benzimidazol-2-yl)propyl 2,3,5-triiodobenzoate;2-(4,5-dihydroimidazol-1-yl)ethyl 2,3,5-triiodobenzoate;1H-imidazol-2-ylmethyl 2,3,5-triiodobenzoate;(2-methylpyrazol-3-yl)methyl 2,3,5-triiodobenzoate;(4-methyl-3H-pyrrol-5-yl)methyl 2,3,5-triiodobenzoate;4-morpholin-4-ylbutyl 2,3,5-triiodobenzoate;2-pyrrolidin-1-ylethyl 2,3,5-triiodobenzoate
PubChem CID159347792
Molecular FormulaC124H102I27N15O19
Molecular Weight5532.67 g/mol
Exact Mass5531.17
IUPAC Name2-(1H-benzimidazol-2-yl)ethyl 2,3,5-triiodobenzoate;1H-benzimidazol-2-ylmethyl 2,3,5-triiodobenzoate;3-(1H-benzimidazol-2-yl)propyl 2,3,5-triiodobenzoate;2-(4,5-dihydroimidazol-1-yl)ethyl 2,3,5-triiodobenzoate;1H-imidazol-2-ylmethyl 2,3,5-triiodobenzoate;(2-methylpyrazol-3-yl)methyl 2,3,5-triiodobenzoate;(4-methyl-3H-pyrrol-5-yl)methyl 2,3,5-triiodobenzoate;4-morpholin-4-ylbutyl 2,3,5-triiodobenzoate;2-pyrrolidin-1-ylethyl 2,3,5-triiodobenzoate
SMILESCC1=C(COC(=O)c2cc(I)cc(I)c2I)N=CC1.Cn1nccc1COC(=O)c1cc(I)cc(I)c1I.O=C(OCCCCN1CCOCC1)c1cc(I)cc(I)c1I.O=C(OCCCc1nc2ccccc2[nH]1)c1cc(I)cc(I)c1I.O=C(OCCN1C=NCC1)c1cc(I)cc(I)c1I.O=C(OCCN1CCCC1)c1cc(I)cc(I)c1I.O=C(OCCc1nc2ccccc2[nH]1)c1cc(I)cc(I)c1I.O=C(OCc1nc2ccccc2[nH]1)c1cc(I)cc(I)c1I.O=C(OCc1ncc[nH]1)c1cc(I)cc(I)c1I
InChIInChI=1S/C17H13I3N2O2.C16H11I3N2O2.C15H9I3N2O2.C15H18I3NO3.C13H10I3NO2.C13H14I3NO2.C12H9I3N2O2.C12H11I3N2O2.C11H7I3N2O2/c18-10-8-11(16(20)12(19)9-10)17(23)24-7-3-6-15-21-13-4-1-2-5-14(13)22-15;17-9-7-10(15(19)11(18)8-9)16(22)23-6-5-14-20-12-3-1-2-4-13(12)21-14;16-8-5-9(14(18)10(17)6-8)15(21)22-7-13-19-11-3-1-2-4-12(11)20-13;16-11-9-12(14(18)13(17)10-11)15(20)22-6-2-1-3-19-4-7-21-8-5-19;1-7-2-3-17-11(7)6-19-13(18)9-4-8(14)5-10(15)12(9)16;14-9-7-10(12(16)11(15)8-9)13(18)19-6-5-17-3-1-2-4-17;1-17-8(2-3-16-17)6-19-12(18)9-4-7(13)5-10(14)11(9)15;13-8-5-9(11(15)10(14)6-8)12(18)19-4-3-17-2-1-16-7-17;12-6-3-7(10(14)8(13)4-6)11(17)18-5-9-15-1-2-16-9/h1-2,4-5,8-9H,3,6-7H2,(H,21,22);1-4,7-8H,5-6H2,(H,20,21);1-6H,7H2,(H,19,20);9-10H,1-8H2;3-5H,2,6H2,1H3;7-8H,1-6H2;2-5H,6H2,1H3;5-7H,1-4H2;1-4H,5H2,(H,15,16)
InChIKeyLGYGTLWJQHVBGX-UHFFFAOYSA-N
XLogP36.78
TPSA412.91 Ų
H-Bond Donors4
H-Bond Acceptors30
Rotatable Bonds35
Heavy Atoms185
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005532.67
LogP ≤ 536.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-(1H-benzimidazol-2-yl)ethyl 2,3,5-triiodobenzoate;1H-benzimidazol-2-ylmethyl 2,3,5-triiodobenzoate;3-(1H-benzimidazol-2-yl)propyl 2,3,5-triiodobenzoate;2-(4,5-dihydroimidazol-1-yl)ethyl 2,3,5-triiodobenzoate;1H-imidazol-2-ylmethyl 2,3,5-triiodobenzoate;(2-methylpyrazol-3-yl)methyl 2,3,5-triiodobenzoate;(4-methyl-3H-pyrrol-5-yl)methyl 2,3,5-triiodobenzoate;4-morpholin-4-ylbutyl 2,3,5-triiodobenzoate;2-pyrrolidin-1-ylethyl 2,3,5-triiodobenzoate with MolForge

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Related Compounds

2-(1H-benzimidazol-2-yl)ethyl 2,3,5-triiodobenzoate;1H-benzimidazol-2-ylmethyl 2,3,5-triiodobenzoate;3-(1H-benzimidazol-2-yl)propyl 2,3,5-triiodobenzoate;2-(4,5-dihydroimidazol-1-yl)ethyl 2,3,5-triiodobenzoate;1H-imidazol-2-ylmethyl 2,3,5-triiodobenzoate;2-methylbutan-2-yl 4-[2-(2,3,5-triiodobenzoyl)oxyethyl]piperazine-1-carboxylate;(2-methylpyrazol-3-yl)methyl 2,3,5-triiodobenzoate;(4-methyl-3H-pyrrol-5-yl)methyl 2,3,5-triiodobenzoate;2-pyrrolidin-1-ylethyl 2,3,5-triiodobenzoate
CID 157258757
2-tert-butylbenzotriazole;9-tert-butyl-N,N-dimethylpurin-6-amine;N,N-dimethyl-3-propan-2-ylpurin-6-amine;ethyl 1-propan-2-ylindole-2-carboxylate;2-methyl-1-propan-2-ylbenzimidazole;methyl 1-propan-2-ylindazole-3-carboxylate;1-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-yl-7H-purin-6-one;9-propan-2-yl-1H-purin-6-one
CID 158115147
2-(1H-benzimidazol-2-yl)ethyl 2-iodo-2-methylpropanoate;1H-benzimidazol-2-ylmethyl 2-iodo-2-methylpropanoate;3-(1H-benzimidazol-2-yl)propyl 2-iodo-2-methylpropanoate;2-[bis[2-(2-iodoacetyl)oxyethyl]amino]ethyl 2-iodoacetate;2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl 2-iodo-2-methyl-3-oxobutanoate;1H-imidazol-2-ylmethyl 2-iodo-2-phenylacetate;(2-methylpyrazol-3-yl)methyl 2-iodo-2-phenylacetate;(4-methyl-3H-pyrrol-5-yl)methyl 2-iodo-2-phenylacetate;2-morpholin-4-ylethyl 2-iodo-2-methyl-3-oxobutanoate;2-piperidin-1-ylethyl 2-iodo-2-methyl-3-oxobutanoate
CID 163467985
(1-amino-2-methylpyrazol-2-ium-3-yl)methyl 2-iodo-2-phenylacetate;1H-benzimidazol-1-ium-2-ylmethyl 2-iodo-2-methylpropanoate;3-(1H-benzimidazol-3-ium-2-yl)propyl 2-iodo-2-methylpropanoate;2-(1,1-dioxo-1,4-thiazinan-4-ium-4-yl)ethyl 2-iodo-2-methyl-3-oxobutanoate;2-(1H-indol-2-yl)ethyl 2-iodo-2-methylpropanoate;(4-methyl-3H-pyrrol-1-ium-5-yl)methyl 2-iodo-2-phenylacetate;2-morpholin-4-ium-4-ylethyl 2-iodo-2-methyl-3-oxobutanoate;2-piperidin-1-ium-1-ylethyl 2-iodo-2-methyl-3-oxobutanoate
CID 163485791
1H-benzimidazol-1-ium-2-ylmethyl 2-iodopropanoate;3-(1H-benzimidazol-3-ium-2-yl)propyl 2-iodopropanoate;2-(4,5-dihydro-1H-imidazol-3-ium-3-yl)ethyl 2-iodo-2-methylpropanoate;1H-imidazol-3-ium-2-ylmethyl 2-iodo-2-phenylacetate;2-(1H-indol-2-yl)ethyl 2-iodopropanoate;3-(2-iodopropanoyloxy)propyl-(3-methoxypropyl)azanium;2-(4-methylpiperazin-1-ium-1-yl)ethyl 2-iodo-2-methylpropanoate;4-morpholin-4-ium-4-ylbutyl 2-iodopropanoate;2-pyrrolidin-1-ium-1-ylethyl 2-iodo-2-methylpropanoate
CID 164083549
ethyl 4-[15-(4-ethoxycarbonylphenyl)-10,20-bis[3-[15-[1-(3-methyl-5-pyridin-2-yl-1H-pyrazol-4-yl)imidazol-2-yl]-10,20-bis(2-prop-2-enoxyethyl)-21,23-dihydroporphyrin-5-yl]phenyl]-21,23-dihydroporphyrin-5-yl]benzoate
CID 177559944

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)ethyl 2,3,5-triiodobenzoate;1H-benzimidazol-2-ylmethyl 2,3,5-triiodobenzoate;3-(1H-benzimidazol-2-yl)propyl 2,3,5-triiodobenzoate;2-(4,5-dihydroimidazol-1-yl)ethyl 2,3,5-triiodobenzoate;1H-imidazol-2-ylmethyl 2,3,5-triiodobenzoate;(2-methylpyrazol-3-yl)methyl 2,3,5-triiodobenzoate;(4-methyl-3H-pyrrol-5-yl)methyl 2,3,5-triiodobenzoate;4-morpholin-4-ylbutyl 2,3,5-triiodobenzoate;2-pyrrolidin-1-ylethyl 2,3,5-triiodobenzoate?
The IUPAC name of 2-(1H-benzimidazol-2-yl)ethyl 2,3,5-triiodobenzoate;1H-benzimidazol-2-ylmethyl 2,3,5-triiodobenzoate;3-(1H-benzimidazol-2-yl)propyl 2,3,5-triiodobenzoate;2-(4,5-dihydroimidazol-1-yl)ethyl 2,3,5-triiodobenzoate;1H-imidazol-2-ylmethyl 2,3,5-triiodobenzoate;(2-methylpyrazol-3-yl)methyl 2,3,5-triiodobenzoate;(4-methyl-3H-pyrrol-5-yl)methyl 2,3,5-triiodobenzoate;4-morpholin-4-ylbutyl 2,3,5-triiodobenzoate;2-pyrrolidin-1-ylethyl 2,3,5-triiodobenzoate (CID 159347792) is 2-(1H-benzimidazol-2-yl)ethyl 2,3,5-triiodobenzoate;1H-benzimidazol-2-ylmethyl 2,3,5-triiodobenzoate;3-(1H-benzimidazol-2-yl)propyl 2,3,5-triiodobenzoate;2-(4,5-dihydroimidazol-1-yl)ethyl 2,3,5-triiodobenzoate;1H-imidazol-2-ylmethyl 2,3,5-triiodobenzoate;(2-methylpyrazol-3-yl)methyl 2,3,5-triiodobenzoate;(4-methyl-3H-pyrrol-5-yl)methyl 2,3,5-triiodobenzoate;4-morpholin-4-ylbutyl 2,3,5-triiodobenzoate;2-pyrrolidin-1-ylethyl 2,3,5-triiodobenzoate.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)ethyl 2,3,5-triiodobenzoate;1H-benzimidazol-2-ylmethyl 2,3,5-triiodobenzoate;3-(1H-benzimidazol-2-yl)propyl 2,3,5-triiodobenzoate;2-(4,5-dihydroimidazol-1-yl)ethyl 2,3,5-triiodobenzoate;1H-imidazol-2-ylmethyl 2,3,5-triiodobenzoate;(2-methylpyrazol-3-yl)methyl 2,3,5-triiodobenzoate;(4-methyl-3H-pyrrol-5-yl)methyl 2,3,5-triiodobenzoate;4-morpholin-4-ylbutyl 2,3,5-triiodobenzoate;2-pyrrolidin-1-ylethyl 2,3,5-triiodobenzoate?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)ethyl 2,3,5-triiodobenzoate;1H-benzimidazol-2-ylmethyl 2,3,5-triiodobenzoate;3-(1H-benzimidazol-2-yl)propyl 2,3,5-triiodobenzoate;2-(4,5-dihydroimidazol-1-yl)ethyl 2,3,5-triiodobenzoate;1H-imidazol-2-ylmethyl 2,3,5-triiodobenzoate;(2-methylpyrazol-3-yl)methyl 2,3,5-triiodobenzoate;(4-methyl-3H-pyrrol-5-yl)methyl 2,3,5-triiodobenzoate;4-morpholin-4-ylbutyl 2,3,5-triiodobenzoate;2-pyrrolidin-1-ylethyl 2,3,5-triiodobenzoate is CC1=C(COC(=O)c2cc(I)cc(I)c2I)N=CC1.Cn1nccc1COC(=O)c1cc(I)cc(I)c1I.O=C(OCCCCN1CCOCC1)c1cc(I)cc(I)c1I.O=C(OCCCc1nc2ccccc2[nH]1)c1cc(I)cc(I)c1I.O=C(OCCN1C=NCC1)c1cc(I)cc(I)c1I.O=C(OCCN1CCCC1)c1cc(I)cc(I)c1I.O=C(OCCc1nc2ccccc2[nH]1)c1cc(I)cc(I)c1I.O=C(OCc1nc2ccccc2[nH]1)c1cc(I)cc(I)c1I.O=C(OCc1ncc[nH]1)c1cc(I)cc(I)c1I.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)ethyl 2,3,5-triiodobenzoate;1H-benzimidazol-2-ylmethyl 2,3,5-triiodobenzoate;3-(1H-benzimidazol-2-yl)propyl 2,3,5-triiodobenzoate;2-(4,5-dihydroimidazol-1-yl)ethyl 2,3,5-triiodobenzoate;1H-imidazol-2-ylmethyl 2,3,5-triiodobenzoate;(2-methylpyrazol-3-yl)methyl 2,3,5-triiodobenzoate;(4-methyl-3H-pyrrol-5-yl)methyl 2,3,5-triiodobenzoate;4-morpholin-4-ylbutyl 2,3,5-triiodobenzoate;2-pyrrolidin-1-ylethyl 2,3,5-triiodobenzoate?
The InChIKey is LGYGTLWJQHVBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13I3N2O2.C16H11I3N2O2.C15H9I3N2O2.C15H18I3NO3.C13H10I3NO2.C13H14I3NO2.C12H9I3N2O2.C12H11I3N2O2.C11H7I3N2O2/c18-10-8-11(16(20)12(19)9-10)17(23)24-7-3-6-15-21-13-4-1-2-5-14(13)22-15;17-9-7-10(15(19)11(18)8-9)16(22)23-6-5-14-20-12-3-1-2-4-13(12)21-14;16-8-5-9(14(18)10(17)6-8)15(21)22-7-13-19-11-3-1-2-4-12(11)20-13;16-11-9-12(14(18)13(17)10-11)15(20)22-6-2-1-3-19-4-7-21-8-5-19;1-7-2-3-17-11(7)6-19-13(18)9-4-8(14)5-10(15)12(9)16;14-9-7-10(12(16)11(15)8-9)13(18)19-6-5-17-3-1-2-4-17;1-17-8(2-3-16-17)6-19-12(18)9-4-7(13)5-10(14)11(9)15;13-8-5-9(11(15)10(14)6-8)12(18)19-4-3-17-2-1-16-7-17;12-6-3-7(10(14)8(13)4-6)11(17)18-5-9-15-1-2-16-9/h1-2,4-5,8-9H,3,6-7H2,(H,21,22);1-4,7-8H,5-6H2,(H,20,21);1-6H,7H2,(H,19,20);9-10H,1-8H2;3-5H,2,6H2,1H3;7-8H,1-6H2;2-5H,6H2,1H3;5-7H,1-4H2;1-4H,5H2,(H,15,16).
What are the key properties of 2-(1H-benzimidazol-2-yl)ethyl 2,3,5-triiodobenzoate;1H-benzimidazol-2-ylmethyl 2,3,5-triiodobenzoate;3-(1H-benzimidazol-2-yl)propyl 2,3,5-triiodobenzoate;2-(4,5-dihydroimidazol-1-yl)ethyl 2,3,5-triiodobenzoate;1H-imidazol-2-ylmethyl 2,3,5-triiodobenzoate;(2-methylpyrazol-3-yl)methyl 2,3,5-triiodobenzoate;(4-methyl-3H-pyrrol-5-yl)methyl 2,3,5-triiodobenzoate;4-morpholin-4-ylbutyl 2,3,5-triiodobenzoate;2-pyrrolidin-1-ylethyl 2,3,5-triiodobenzoate?
2-(1H-benzimidazol-2-yl)ethyl 2,3,5-triiodobenzoate;1H-benzimidazol-2-ylmethyl 2,3,5-triiodobenzoate;3-(1H-benzimidazol-2-yl)propyl 2,3,5-triiodobenzoate;2-(4,5-dihydroimidazol-1-yl)ethyl 2,3,5-triiodobenzoate;1H-imidazol-2-ylmethyl 2,3,5-triiodobenzoate;(2-methylpyrazol-3-yl)methyl 2,3,5-triiodobenzoate;(4-methyl-3H-pyrrol-5-yl)methyl 2,3,5-triiodobenzoate;4-morpholin-4-ylbutyl 2,3,5-triiodobenzoate;2-pyrrolidin-1-ylethyl 2,3,5-triiodobenzoate has a molecular weight of 5532.67 g/mol, XLogP of 36.78, 35 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)ethyl 2,3,5-triiodobenzoate;1H-benzimidazol-2-ylmethyl 2,3,5-triiodobenzoate;3-(1H-benzimidazol-2-yl)propyl 2,3,5-triiodobenzoate;2-(4,5-dihydroimidazol-1-yl)ethyl 2,3,5-triiodobenzoate;1H-imidazol-2-ylmethyl 2,3,5-triiodobenzoate;(2-methylpyrazol-3-yl)methyl 2,3,5-triiodobenzoate;(4-methyl-3H-pyrrol-5-yl)methyl 2,3,5-triiodobenzoate;4-morpholin-4-ylbutyl 2,3,5-triiodobenzoate;2-pyrrolidin-1-ylethyl 2,3,5-triiodobenzoate is sourced from PubChem (CID 159347792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).