sodium;(2S)-2-aminopropan-1-ol;bromozinc(1+);N-[(2S)-1-hydroxypropan-2-yl]-3-(2-methylpropyl)-7-(5-methyl-2-pyridinyl)benzimidazole-5-carboxamide;1-iodo-2-methylpropane;methyl 7-iodo-3H-benzimidazole-5-carboxylate;methyl 7-iodo-3-(2-methylpropyl)benzimidazole-5-carboxylate;methyl 3-(2-methylpropyl)-7-(5-methyl-2-pyridinyl)benzimidazole-5-carboxylate;3-(2-methylpropyl)-7-(5-methyl-2-pyridinyl)benzimidazole-5-carboxylic acid;5-methyl-2H-pyridin-2-ide;hydroxide

C93H113BrI3N16NaO12Zn — CID 159421683

IUPACsodium;(2S)-2-aminopropan-1-ol;bromozinc(1+);N-[(2S)-1-hydroxypropan-2-yl]-3-(2-methylpropyl)-7-(5-methyl-2-pyridinyl)benzimidazole-5-carboxamide;1-iodo-2-methylpropane;methyl 7-iodo-3H-benzimidazole-5-carboxylate;methyl 7-iodo-3-(2-methylpropyl)benzimidazole-5-carboxylate;methyl 3-(2-methylpropyl)-7-(5-methyl-2-pyridinyl)benzimidazole-5-carboxylate;3-(2-methylpropyl)-7-(5-methyl-2-pyridinyl)benzimidazole-5-carboxylic acid;5-methyl-2H-pyridin-2-ide;hydroxide
SMILESCC(C)CI.COC(=O)c1cc(-c2ccc(C)cn2)c2ncn(CC(C)C)c2c1.COC(=O)c1cc(I)c2nc[nH]c2c1.COC(=O)c1cc(I)c2ncn(CC(C)C)c2c1.C[C@H](N)CO.Cc1cc[c-]nc1.Cc1ccc(-c2cc(C(=O)N[C@@H](C)CO)cc3c2ncn3CC(C)C)nc1.Cc1ccc(-c2cc(C(=O)O)cc3c2ncn3CC(C)C)nc1.[Na+].[OH-].[Zn+]Br
InChIInChI=1S/C21H26N4O2.C19H21N3O2.C18H19N3O2.C13H15IN2O2.C9H7IN2O2.C6H6N.C4H9I.C3H9NO.BrH.Na.H2O.Zn/c1-13(2)10-25-12-23-20-17(18-6-5-14(3)9-22-18)7-16(8-19(20)25)21(27)24-15(4)11-26;1-12(2)10-22-11-21-18-15(16-6-5-13(3)9-20-16)7-14(8-17(18)22)19(23)24-4;1-11(2)9-21-10-20-17-14(15-5-4-12(3)8-19-15)6-13(18(22)23)7-16(17)21;1-8(2)6-16-7-15-12-10(14)4-9(5-11(12)16)13(17)18-3;1-14-9(13)5-2-6(10)8-7(3-5)11-4-12-8;1-6-3-2-4-7-5-6;1-4(2)3-5;1-3(4)2-5;;;;/h5-9,12-13,15,26H,10-11H2,1-4H3,(H,24,27);5-9,11-12H,10H2,1-4H3;4-8,10-11H,9H2,1-3H3,(H,22,23);4-5,7-8H,6H2,1-3H3;2-4H,1H3,(H,11,12);2-3,5H,1H3;4H,3H2,1-2H3;3,5H,2,4H2,1H3;1H;;1H2;/q;;;;;-1;;;;+1;;+2/p-2/t15-;;;;;;;3-;;;;/m0......0..../s1
InChIKeyGAVCCGABPBJEIJ-PKZLYYRMSA-L
MW2196.02 g/mol
LogP16.08
Rot. Bonds20

About sodium;(2S)-2-aminopropan-1-ol;bromozinc(1+);N-[(2S)-1-hydroxypropan-2-yl]-3-(2-methylpropyl)-7-(5-methyl-2-pyridinyl)benzimidazole-5-carboxamide;1-iodo-2-methylpropane;methyl 7-iodo-3H-benzimidazole-5-carboxylate;methyl 7-iodo-3-(2-methylpropyl)benzimidazole-5-carboxylate;methyl 3-(2-methylpropyl)-7-(5-methyl-2-pyridinyl)benzimidazole-5-carboxylate;3-(2-methylpropyl)-7-(5-methyl-2-pyridinyl)benzimidazole-5-carboxylic acid;5-methyl-2H-pyridin-2-ide;hydroxide

sodium;(2S)-2-aminopropan-1-ol;bromozinc(1+);N-[(2S)-1-hydroxypropan-2-yl]-3-(2-methylpropyl)-7-(5-methyl-2-pyridinyl)benzimidazole-5-carboxamide;1-iodo-2-methylpropane;methyl 7-iodo-3H-benzimidazole-5-carboxylate;methyl 7-iodo-3-(2-methylpropyl)benzimidazole-5-carboxylate;methyl 3-(2-methylpropyl)-7-(5-methyl-2-pyridinyl)benzimidazole-5-carboxylate;3-(2-methylpropyl)-7-(5-methyl-2-pyridinyl)benzimidazole-5-carboxylic acid;5-methyl-2H-pyridin-2-ide;hydroxide (PubChem CID 159421683) has the molecular formula C93H113BrI3N16NaO12Zn and a molecular weight of 2196.02 g/mol. Its IUPAC name is sodium;(2S)-2-aminopropan-1-ol;bromozinc(1+);N-[(2S)-1-hydroxypropan-2-yl]-3-(2-methylpropyl)-7-(5-methyl-2-pyridinyl)benzimidazole-5-carboxamide;1-iodo-2-methylpropane;methyl 7-iodo-3H-benzimidazole-5-carboxylate;methyl 7-iodo-3-(2-methylpropyl)benzimidazole-5-carboxylate;methyl 3-(2-methylpropyl)-7-(5-methyl-2-pyridinyl)benzimidazole-5-carboxylate;3-(2-methylpropyl)-7-(5-methyl-2-pyridinyl)benzimidazole-5-carboxylic acid;5-methyl-2H-pyridin-2-ide;hydroxide.

Molecular Properties

Compound Namesodium;(2S)-2-aminopropan-1-ol;bromozinc(1+);N-[(2S)-1-hydroxypropan-2-yl]-3-(2-methylpropyl)-7-(5-methyl-2-pyridinyl)benzimidazole-5-carboxamide;1-iodo-2-methylpropane;methyl 7-iodo-3H-benzimidazole-5-carboxylate;methyl 7-iodo-3-(2-methylpropyl)benzimidazole-5-carboxylate;methyl 3-(2-methylpropyl)-7-(5-methyl-2-pyridinyl)benzimidazole-5-carboxylate;3-(2-methylpropyl)-7-(5-methyl-2-pyridinyl)benzimidazole-5-carboxylic acid;5-methyl-2H-pyridin-2-ide;hydroxide
PubChem CID159421683
Molecular FormulaC93H113BrI3N16NaO12Zn
Molecular Weight2196.02 g/mol
Exact Mass2192.42
IUPAC Namesodium;(2S)-2-aminopropan-1-ol;bromozinc(1+);N-[(2S)-1-hydroxypropan-2-yl]-3-(2-methylpropyl)-7-(5-methyl-2-pyridinyl)benzimidazole-5-carboxamide;1-iodo-2-methylpropane;methyl 7-iodo-3H-benzimidazole-5-carboxylate;methyl 7-iodo-3-(2-methylpropyl)benzimidazole-5-carboxylate;methyl 3-(2-methylpropyl)-7-(5-methyl-2-pyridinyl)benzimidazole-5-carboxylate;3-(2-methylpropyl)-7-(5-methyl-2-pyridinyl)benzimidazole-5-carboxylic acid;5-methyl-2H-pyridin-2-ide;hydroxide
SMILESCC(C)CI.COC(=O)c1cc(-c2ccc(C)cn2)c2ncn(CC(C)C)c2c1.COC(=O)c1cc(I)c2nc[nH]c2c1.COC(=O)c1cc(I)c2ncn(CC(C)C)c2c1.C[C@H](N)CO.Cc1cc[c-]nc1.Cc1ccc(-c2cc(C(=O)N[C@@H](C)CO)cc3c2ncn3CC(C)C)nc1.Cc1ccc(-c2cc(C(=O)O)cc3c2ncn3CC(C)C)nc1.[Na+].[OH-].[Zn+]Br
InChIInChI=1S/C21H26N4O2.C19H21N3O2.C18H19N3O2.C13H15IN2O2.C9H7IN2O2.C6H6N.C4H9I.C3H9NO.BrH.Na.H2O.Zn/c1-13(2)10-25-12-23-20-17(18-6-5-14(3)9-22-18)7-16(8-19(20)25)21(27)24-15(4)11-26;1-12(2)10-22-11-21-18-15(16-6-5-13(3)9-20-16)7-14(8-17(18)22)19(23)24-4;1-11(2)9-21-10-20-17-14(15-5-4-12(3)8-19-15)6-13(18(22)23)7-16(17)21;1-8(2)6-16-7-15-12-10(14)4-9(5-11(12)16)13(17)18-3;1-14-9(13)5-2-6(10)8-7(3-5)11-4-12-8;1-6-3-2-4-7-5-6;1-4(2)3-5;1-3(4)2-5;;;;/h5-9,12-13,15,26H,10-11H2,1-4H3,(H,24,27);5-9,11-12H,10H2,1-4H3;4-8,10-11H,9H2,1-3H3,(H,22,23);4-5,7-8H,6H2,1-3H3;2-4H,1H3,(H,11,12);2-3,5H,1H3;4H,3H2,1-2H3;3,5H,2,4H2,1H3;1H;;1H2;/q;;;;;-1;;;;+1;;+2/p-2/t15-;;;;;;;3-;;;;/m0......0..../s1
InChIKeyGAVCCGABPBJEIJ-PKZLYYRMSA-L
XLogP16.08
TPSA393.30 Ų
H-Bond Donors6
H-Bond Acceptors25
Rotatable Bonds20
Heavy Atoms127
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002196.02
LogP ≤ 516.08
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze sodium;(2S)-2-aminopropan-1-ol;bromozinc(1+);N-[(2S)-1-hydroxypropan-2-yl]-3-(2-methylpropyl)-7-(5-methyl-2-pyridinyl)benzimidazole-5-carboxamide;1-iodo-2-methylpropane;methyl 7-iodo-3H-benzimidazole-5-carboxylate;methyl 7-iodo-3-(2-methylpropyl)benzimidazole-5-carboxylate;methyl 3-(2-methylpropyl)-7-(5-methyl-2-pyridinyl)benzimidazole-5-carboxylate;3-(2-methylpropyl)-7-(5-methyl-2-pyridinyl)benzimidazole-5-carboxylic acid;5-methyl-2H-pyridin-2-ide;hydroxide with MolForge

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Related Compounds

Bis[4-(3-methylimidazol-3-ium-1-yl)butyl] 4-[3-(4-imidazol-3-ium-1-ylbutyl)carbazol-9-yl]-5-[3-[4-(3-methylimidazol-3-ium-1-yl)butyl]carbazol-9-yl]benzene-1,2-dicarboxylate
CID 140821466
N,N-dimethyl-1-(6-oxo-7,8-dihydro-5H-1,5-naphthyridin-2-yl)-2-propan-2-ylbenzimidazole-5-carboxamide;N-methyl-2-(morpholine-4-carbonyl)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;N-methyl-1-(6-oxo-7,8-dihydro-5H-1,5-naphthyridin-2-yl)-2-propan-2-ylbenzimidazole-5-carboxamide;N-methyl-1-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)-2-propan-2-ylbenzimidazole-5-carboxamide;methyl 1-(6-oxo-7,8-dihydro-5H-1,5-naphthyridin-2-yl)-2-propan-2-ylbenzimidazole-5-carboxylate
CID 157262141
tert-butyl N-[2-[[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-1-methylbenzimidazole-5-carbonyl]-[2-(1H-imidazol-5-yl)ethyl]amino]ethyl]carbamate;tert-butyl N-[5-(3H-pyrrol-4-yl)pentyl]carbamate;2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-1-methylbenzimidazole-5-carboxylic acid
CID 157313379
N-[4-[2-[2-(dimethylamino)ethoxy]propan-2-yl]-2-(4-methylpiperidin-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-[2-[2-(dimethylamino)ethoxy]propan-2-yl]-2-(4-methylpiperidin-1-yl)phenyl]-4-isocyano-1H-pyrrole-2-carboxamide;N-[4-[1-(dimethylamino)ethyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-imidazol-1-ylethoxy)propyl]phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-[1-(4-ethylpiperazin-1-yl)ethyl]-2-spiro[4.5]dec-8-en-8-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide
CID 157439144
2-[4-(6-carboxy-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-carboxylic acid;2-[4-[5-[2-(dimethylamino)ethylcarbamoyl]-3H-indol-2-yl]phenyl]-N-[3-(dimethylamino)propyl]-3H-indole-5-carboxamide;2-[4-[5-[2-(dimethylamino)ethylcarbamoyl]-3H-indol-2-yl]phenyl]-3H-indole-5-carboxylic acid;N',N'-dimethylethane-1,2-diamine;N',N'-dimethylpropane-1,3-diamine;(4-methylphenyl)methanol;(4-methylphenyl)methyl 2-[4-[6-[4-(dimethylamino)butanoyl]-1H-benzimidazol-2-yl]phenyl]-3H-indole-5-carboxylate
CID 157495602
2-[2-(ethylcarbamoylamino)-6-pyridin-3-yl-1H-benzimidazol-4-yl]pyridine-4-carboxylic acid;methyl 2-[2-(ethylcarbamoylamino)-6-pyridin-3-yl-1H-benzimidazol-4-yl]pyridine-4-carboxylate
CID 158047053
Bis[4-(3-methylimidazol-3-ium-1-yl)butyl] 4-[3-(4-imidazol-3-ium-1-ylbutyl)carbazol-9-yl]-5-[3-[4-(3-methylimidazol-3-ium-1-yl)butyl]carbazol-9-yl]benzene-1,2-dicarboxylate;methane
CID 158058446
sodium;N-[2-(diethylamino)ethyl]-2-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3H-benzimidazole-5-carboxamide;N',N'-diethylethane-1,2-diamine;methanol;methyl 2-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3H-benzimidazole-5-carboxylate;2-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3H-benzimidazole-5-carboxylic acid;hydroxide
CID 158144818
Methyl 2-[2-(butylamino)-3-(2-methylpropyl)benzimidazol-4-yl]-1-(2-methylpropyl)benzimidazole-5-carboxylate;methyl 2-[3-butyl-2-(butylamino)benzimidazol-4-yl]-1-(2-methylpropyl)benzimidazole-5-carboxylate;methyl 1-butyl-2-[2-(butylamino)-3-[2-(cyclohexen-1-yl)ethyl]benzimidazol-4-yl]benzimidazole-5-carboxylate;methyl 2-[3-[2-(cyclohexen-1-yl)ethyl]-2-(3-hydroxyphenyl)benzimidazol-4-yl]-1-(2-methylpropyl)benzimidazole-5-carboxylate;methyl 2-[3-(3,3-diphenylpropyl)-2-pyridin-3-ylbenzimidazol-4-yl]-1-pentylbenzimidazole-5-carboxylate;methyl 2-[2-(3-hydroxyphenyl)-3-(3-methylbutyl)benzimidazol-4-yl]-1-(2-methylpropyl)benzimidazole-5-carboxylate
CID 158269512
N-[1-[5-[(E)-3-amino-3-oxoprop-1-enyl]-1-methylbenzimidazol-2-yl]cyclobutyl]-3-cyclopentyl-1-methyl-2-pyrazin-2-ylindole-6-carboxamide;(E)-3-[2-[1-[(3-cyclopentyl-1-methyl-2-pyrazin-2-ylindole-6-carbonyl)amino]cyclobutyl]-1-methylbenzimidazol-5-yl]prop-2-enoic acid;3-cyclopentyl-1-methyl-2-pyrazin-2-ylindole-6-carboxylic acid;ethyl (E)-3-[2-(1-aminocyclobutyl)-1-methylbenzimidazol-5-yl]prop-2-enoate;methane
CID 158365444
3H-benzimidazole-5-carboxylic acid;tert-butyl 4-(3H-benzimidazole-5-carbonylamino)piperidine-1-carboxylate;tert-butyl 4-[[1-[(dimethylamino)methyl]benzimidazole-5-carbonyl]amino]piperidine-1-carboxylate;tert-butyl 4-[(3-ethylbenzimidazole-5-carbonyl)amino]piperidine-1-carboxylate
CID 158443347
ethyl 4-[2-benzoylimino-6-(hydroxymethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;ethyl 4-[6-(hydroxymethyl)-2-[(4-methylbenzoyl)amino]benzimidazol-1-yl]cyclohexane-1-carboxylate;N-[6-ethyl-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-(hydroxymethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;methyl 4-[2-benzamido-6-(hydroxymethyl)benzimidazol-1-yl]cyclohexane-1-carboxylate;methyl 4-[6-(hydroxymethyl)-2-(4-methylbenzoyl)imino-3H-indol-1-yl]cyclohexane-1-carboxylate
CID 158549323

Frequently Asked Questions

What is the IUPAC name of sodium;(2S)-2-aminopropan-1-ol;bromozinc(1+);N-[(2S)-1-hydroxypropan-2-yl]-3-(2-methylpropyl)-7-(5-methyl-2-pyridinyl)benzimidazole-5-carboxamide;1-iodo-2-methylpropane;methyl 7-iodo-3H-benzimidazole-5-carboxylate;methyl 7-iodo-3-(2-methylpropyl)benzimidazole-5-carboxylate;methyl 3-(2-methylpropyl)-7-(5-methyl-2-pyridinyl)benzimidazole-5-carboxylate;3-(2-methylpropyl)-7-(5-methyl-2-pyridinyl)benzimidazole-5-carboxylic acid;5-methyl-2H-pyridin-2-ide;hydroxide?
The IUPAC name of sodium;(2S)-2-aminopropan-1-ol;bromozinc(1+);N-[(2S)-1-hydroxypropan-2-yl]-3-(2-methylpropyl)-7-(5-methyl-2-pyridinyl)benzimidazole-5-carboxamide;1-iodo-2-methylpropane;methyl 7-iodo-3H-benzimidazole-5-carboxylate;methyl 7-iodo-3-(2-methylpropyl)benzimidazole-5-carboxylate;methyl 3-(2-methylpropyl)-7-(5-methyl-2-pyridinyl)benzimidazole-5-carboxylate;3-(2-methylpropyl)-7-(5-methyl-2-pyridinyl)benzimidazole-5-carboxylic acid;5-methyl-2H-pyridin-2-ide;hydroxide (CID 159421683) is sodium;(2S)-2-aminopropan-1-ol;bromozinc(1+);N-[(2S)-1-hydroxypropan-2-yl]-3-(2-methylpropyl)-7-(5-methyl-2-pyridinyl)benzimidazole-5-carboxamide;1-iodo-2-methylpropane;methyl 7-iodo-3H-benzimidazole-5-carboxylate;methyl 7-iodo-3-(2-methylpropyl)benzimidazole-5-carboxylate;methyl 3-(2-methylpropyl)-7-(5-methyl-2-pyridinyl)benzimidazole-5-carboxylate;3-(2-methylpropyl)-7-(5-methyl-2-pyridinyl)benzimidazole-5-carboxylic acid;5-methyl-2H-pyridin-2-ide;hydroxide.
What is the SMILES notation for sodium;(2S)-2-aminopropan-1-ol;bromozinc(1+);N-[(2S)-1-hydroxypropan-2-yl]-3-(2-methylpropyl)-7-(5-methyl-2-pyridinyl)benzimidazole-5-carboxamide;1-iodo-2-methylpropane;methyl 7-iodo-3H-benzimidazole-5-carboxylate;methyl 7-iodo-3-(2-methylpropyl)benzimidazole-5-carboxylate;methyl 3-(2-methylpropyl)-7-(5-methyl-2-pyridinyl)benzimidazole-5-carboxylate;3-(2-methylpropyl)-7-(5-methyl-2-pyridinyl)benzimidazole-5-carboxylic acid;5-methyl-2H-pyridin-2-ide;hydroxide?
The canonical SMILES for sodium;(2S)-2-aminopropan-1-ol;bromozinc(1+);N-[(2S)-1-hydroxypropan-2-yl]-3-(2-methylpropyl)-7-(5-methyl-2-pyridinyl)benzimidazole-5-carboxamide;1-iodo-2-methylpropane;methyl 7-iodo-3H-benzimidazole-5-carboxylate;methyl 7-iodo-3-(2-methylpropyl)benzimidazole-5-carboxylate;methyl 3-(2-methylpropyl)-7-(5-methyl-2-pyridinyl)benzimidazole-5-carboxylate;3-(2-methylpropyl)-7-(5-methyl-2-pyridinyl)benzimidazole-5-carboxylic acid;5-methyl-2H-pyridin-2-ide;hydroxide is CC(C)CI.COC(=O)c1cc(-c2ccc(C)cn2)c2ncn(CC(C)C)c2c1.COC(=O)c1cc(I)c2nc[nH]c2c1.COC(=O)c1cc(I)c2ncn(CC(C)C)c2c1.C[C@H](N)CO.Cc1cc[c-]nc1.Cc1ccc(-c2cc(C(=O)N[C@@H](C)CO)cc3c2ncn3CC(C)C)nc1.Cc1ccc(-c2cc(C(=O)O)cc3c2ncn3CC(C)C)nc1.[Na+].[OH-].[Zn+]Br.
What is the InChIKey of sodium;(2S)-2-aminopropan-1-ol;bromozinc(1+);N-[(2S)-1-hydroxypropan-2-yl]-3-(2-methylpropyl)-7-(5-methyl-2-pyridinyl)benzimidazole-5-carboxamide;1-iodo-2-methylpropane;methyl 7-iodo-3H-benzimidazole-5-carboxylate;methyl 7-iodo-3-(2-methylpropyl)benzimidazole-5-carboxylate;methyl 3-(2-methylpropyl)-7-(5-methyl-2-pyridinyl)benzimidazole-5-carboxylate;3-(2-methylpropyl)-7-(5-methyl-2-pyridinyl)benzimidazole-5-carboxylic acid;5-methyl-2H-pyridin-2-ide;hydroxide?
The InChIKey is GAVCCGABPBJEIJ-PKZLYYRMSA-L. The full InChI is InChI=1S/C21H26N4O2.C19H21N3O2.C18H19N3O2.C13H15IN2O2.C9H7IN2O2.C6H6N.C4H9I.C3H9NO.BrH.Na.H2O.Zn/c1-13(2)10-25-12-23-20-17(18-6-5-14(3)9-22-18)7-16(8-19(20)25)21(27)24-15(4)11-26;1-12(2)10-22-11-21-18-15(16-6-5-13(3)9-20-16)7-14(8-17(18)22)19(23)24-4;1-11(2)9-21-10-20-17-14(15-5-4-12(3)8-19-15)6-13(18(22)23)7-16(17)21;1-8(2)6-16-7-15-12-10(14)4-9(5-11(12)16)13(17)18-3;1-14-9(13)5-2-6(10)8-7(3-5)11-4-12-8;1-6-3-2-4-7-5-6;1-4(2)3-5;1-3(4)2-5;;;;/h5-9,12-13,15,26H,10-11H2,1-4H3,(H,24,27);5-9,11-12H,10H2,1-4H3;4-8,10-11H,9H2,1-3H3,(H,22,23);4-5,7-8H,6H2,1-3H3;2-4H,1H3,(H,11,12);2-3,5H,1H3;4H,3H2,1-2H3;3,5H,2,4H2,1H3;1H;;1H2;/q;;;;;-1;;;;+1;;+2/p-2/t15-;;;;;;;3-;;;;/m0......0..../s1.
What are the key properties of sodium;(2S)-2-aminopropan-1-ol;bromozinc(1+);N-[(2S)-1-hydroxypropan-2-yl]-3-(2-methylpropyl)-7-(5-methyl-2-pyridinyl)benzimidazole-5-carboxamide;1-iodo-2-methylpropane;methyl 7-iodo-3H-benzimidazole-5-carboxylate;methyl 7-iodo-3-(2-methylpropyl)benzimidazole-5-carboxylate;methyl 3-(2-methylpropyl)-7-(5-methyl-2-pyridinyl)benzimidazole-5-carboxylate;3-(2-methylpropyl)-7-(5-methyl-2-pyridinyl)benzimidazole-5-carboxylic acid;5-methyl-2H-pyridin-2-ide;hydroxide?
sodium;(2S)-2-aminopropan-1-ol;bromozinc(1+);N-[(2S)-1-hydroxypropan-2-yl]-3-(2-methylpropyl)-7-(5-methyl-2-pyridinyl)benzimidazole-5-carboxamide;1-iodo-2-methylpropane;methyl 7-iodo-3H-benzimidazole-5-carboxylate;methyl 7-iodo-3-(2-methylpropyl)benzimidazole-5-carboxylate;methyl 3-(2-methylpropyl)-7-(5-methyl-2-pyridinyl)benzimidazole-5-carboxylate;3-(2-methylpropyl)-7-(5-methyl-2-pyridinyl)benzimidazole-5-carboxylic acid;5-methyl-2H-pyridin-2-ide;hydroxide has a molecular weight of 2196.02 g/mol, XLogP of 16.08, 20 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;(2S)-2-aminopropan-1-ol;bromozinc(1+);N-[(2S)-1-hydroxypropan-2-yl]-3-(2-methylpropyl)-7-(5-methyl-2-pyridinyl)benzimidazole-5-carboxamide;1-iodo-2-methylpropane;methyl 7-iodo-3H-benzimidazole-5-carboxylate;methyl 7-iodo-3-(2-methylpropyl)benzimidazole-5-carboxylate;methyl 3-(2-methylpropyl)-7-(5-methyl-2-pyridinyl)benzimidazole-5-carboxylate;3-(2-methylpropyl)-7-(5-methyl-2-pyridinyl)benzimidazole-5-carboxylic acid;5-methyl-2H-pyridin-2-ide;hydroxide is sourced from PubChem (CID 159421683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).