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

C124H157I12N15O30S — CID 163467985

IUPAC2-(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
SMILESCC(=O)C(C)(I)C(=O)OCCN1CCCCC1.CC(=O)C(C)(I)C(=O)OCCN1CCOCC1.CC(=O)C(C)(I)C(=O)OCCN1CCS(=O)(=O)CC1.CC(C)(I)C(=O)OCCCc1nc2ccccc2[nH]1.CC(C)(I)C(=O)OCCc1nc2ccccc2[nH]1.CC(C)(I)C(=O)OCc1nc2ccccc2[nH]1.CC1=C(COC(=O)C(I)c2ccccc2)N=CC1.Cn1nccc1COC(=O)C(I)c1ccccc1.O=C(CI)OCCN(CCOC(=O)CI)CCOC(=O)CI.O=C(OCc1ncc[nH]1)C(I)c1ccccc1
InChIInChI=1S/C14H17IN2O2.C14H14INO2.C13H15IN2O2.C13H13IN2O2.C12H18I3NO6.C12H13IN2O2.C12H11IN2O2.C12H20INO3.C11H18INO5S.C11H18INO4/c1-14(2,15)13(18)19-9-5-8-12-16-10-6-3-4-7-11(10)17-12;1-10-7-8-16-12(10)9-18-14(17)13(15)11-5-3-2-4-6-11;1-13(2,14)12(17)18-8-7-11-15-9-5-3-4-6-10(9)16-11;1-16-11(7-8-15-16)9-18-13(17)12(14)10-5-3-2-4-6-10;13-7-10(17)20-4-1-16(2-5-21-11(18)8-14)3-6-22-12(19)9-15;1-12(2,13)11(16)17-7-10-14-8-5-3-4-6-9(8)15-10;13-11(9-4-2-1-3-5-9)12(16)17-8-10-14-6-7-15-10;1-10(15)12(2,13)11(16)17-9-8-14-6-4-3-5-7-14;1-9(14)11(2,12)10(15)18-6-3-13-4-7-19(16,17)8-5-13;1-9(14)11(2,12)10(15)17-8-5-13-3-6-16-7-4-13/h3-4,6-7H,5,8-9H2,1-2H3,(H,16,17);2-6,8,13H,7,9H2,1H3;3-6H,7-8H2,1-2H3,(H,15,16);2-8,12H,9H2,1H3;1-9H2;3-6H,7H2,1-2H3,(H,14,15);1-7,11H,8H2,(H,14,15);3-9H2,1-2H3;3-8H2,1-2H3;3-8H2,1-2H3
InChIKeyBUFNOWHKNZTYEX-UHFFFAOYSA-N
MW3892.61 g/mol
LogP21.37
Rot. Bonds51

About 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

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 (PubChem CID 163467985) has the molecular formula C124H157I12N15O30S and a molecular weight of 3892.61 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID163467985
Molecular FormulaC124H157I12N15O30S
Molecular Weight3892.61 g/mol
Exact Mass3890.95
IUPAC Name2-(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
SMILESCC(=O)C(C)(I)C(=O)OCCN1CCCCC1.CC(=O)C(C)(I)C(=O)OCCN1CCOCC1.CC(=O)C(C)(I)C(=O)OCCN1CCS(=O)(=O)CC1.CC(C)(I)C(=O)OCCCc1nc2ccccc2[nH]1.CC(C)(I)C(=O)OCCc1nc2ccccc2[nH]1.CC(C)(I)C(=O)OCc1nc2ccccc2[nH]1.CC1=C(COC(=O)C(I)c2ccccc2)N=CC1.Cn1nccc1COC(=O)C(I)c1ccccc1.O=C(CI)OCCN(CCOC(=O)CI)CCOC(=O)CI.O=C(OCc1ncc[nH]1)C(I)c1ccccc1
InChIInChI=1S/C14H17IN2O2.C14H14INO2.C13H15IN2O2.C13H13IN2O2.C12H18I3NO6.C12H13IN2O2.C12H11IN2O2.C12H20INO3.C11H18INO5S.C11H18INO4/c1-14(2,15)13(18)19-9-5-8-12-16-10-6-3-4-7-11(10)17-12;1-10-7-8-16-12(10)9-18-14(17)13(15)11-5-3-2-4-6-11;1-13(2,14)12(17)18-8-7-11-15-9-5-3-4-6-10(9)16-11;1-16-11(7-8-15-16)9-18-13(17)12(14)10-5-3-2-4-6-10;13-7-10(17)20-4-1-16(2-5-21-11(18)8-14)3-6-22-12(19)9-15;1-12(2,13)11(16)17-7-10-14-8-5-3-4-6-9(8)15-10;13-11(9-4-2-1-3-5-9)12(16)17-8-10-14-6-7-15-10;1-10(15)12(2,13)11(16)17-9-8-14-6-4-3-5-7-14;1-9(14)11(2,12)10(15)18-6-3-13-4-7-19(16,17)8-5-13;1-9(14)11(2,12)10(15)17-8-5-13-3-6-16-7-4-13/h3-4,6-7H,5,8-9H2,1-2H3,(H,16,17);2-6,8,13H,7,9H2,1H3;3-6H,7-8H2,1-2H3,(H,15,16);2-8,12H,9H2,1H3;1-9H2;3-6H,7H2,1-2H3,(H,14,15);1-7,11H,8H2,(H,14,15);3-9H2,1-2H3;3-8H2,1-2H3;3-8H2,1-2H3
InChIKeyBUFNOWHKNZTYEX-UHFFFAOYSA-N
XLogP21.37
TPSA568.04 Ų
H-Bond Donors4
H-Bond Acceptors41
Rotatable Bonds51
Heavy Atoms182
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003892.61
LogP ≤ 521.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 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 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-(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
(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
2-(1H-benzimidazol-2-yl)ethyl 2,2,2-tribromoacetate;1H-benzimidazol-2-ylmethyl 2,2,2-tribromoacetate;3-(1H-benzimidazol-2-yl)propyl 2,2,2-tribromoacetate;2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl 2-bromo-2-methyl-3-oxobutanoate;(4-methyl-2,3-dihydro-1H-pyrrol-5-yl)methyl 2-bromo-2-phenylacetate;(2-methylpyrazol-3-yl)methyl 2-bromo-2-phenylacetate;2-morpholin-4-ylethyl 2-bromo-2-methyl-3-oxobutanoate;2-piperidin-1-ylethyl 2-bromo-2-methyl-3-oxobutanoate
CID 163572090
CID 163945084
CID 163945084

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)C(C)(I)C(=O)OCCN1CCCCC1.CC(=O)C(C)(I)C(=O)OCCN1CCOCC1.CC(=O)C(C)(I)C(=O)OCCN1CCS(=O)(=O)CC1.CC(C)(I)C(=O)OCCCc1nc2ccccc2[nH]1.CC(C)(I)C(=O)OCCc1nc2ccccc2[nH]1.CC(C)(I)C(=O)OCc1nc2ccccc2[nH]1.CC1=C(COC(=O)C(I)c2ccccc2)N=CC1.Cn1nccc1COC(=O)C(I)c1ccccc1.O=C(CI)OCCN(CCOC(=O)CI)CCOC(=O)CI.O=C(OCc1ncc[nH]1)C(I)c1ccccc1.
What is the InChIKey of 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?
The InChIKey is BUFNOWHKNZTYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17IN2O2.C14H14INO2.C13H15IN2O2.C13H13IN2O2.C12H18I3NO6.C12H13IN2O2.C12H11IN2O2.C12H20INO3.C11H18INO5S.C11H18INO4/c1-14(2,15)13(18)19-9-5-8-12-16-10-6-3-4-7-11(10)17-12;1-10-7-8-16-12(10)9-18-14(17)13(15)11-5-3-2-4-6-11;1-13(2,14)12(17)18-8-7-11-15-9-5-3-4-6-10(9)16-11;1-16-11(7-8-15-16)9-18-13(17)12(14)10-5-3-2-4-6-10;13-7-10(17)20-4-1-16(2-5-21-11(18)8-14)3-6-22-12(19)9-15;1-12(2,13)11(16)17-7-10-14-8-5-3-4-6-9(8)15-10;13-11(9-4-2-1-3-5-9)12(16)17-8-10-14-6-7-15-10;1-10(15)12(2,13)11(16)17-9-8-14-6-4-3-5-7-14;1-9(14)11(2,12)10(15)18-6-3-13-4-7-19(16,17)8-5-13;1-9(14)11(2,12)10(15)17-8-5-13-3-6-16-7-4-13/h3-4,6-7H,5,8-9H2,1-2H3,(H,16,17);2-6,8,13H,7,9H2,1H3;3-6H,7-8H2,1-2H3,(H,15,16);2-8,12H,9H2,1H3;1-9H2;3-6H,7H2,1-2H3,(H,14,15);1-7,11H,8H2,(H,14,15);3-9H2,1-2H3;3-8H2,1-2H3;3-8H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 3892.61 g/mol, XLogP of 21.37, 51 rotatable bonds, 4 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163467985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).