2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylacetic acid;2-[[2-[[2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylacetyl]amino]acetyl]amino]acetic acid;ethyl 2-[(2-aminoacetyl)amino]acetate;ethyl 2-[[2-[[2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylacetyl]amino]acetyl]amino]acetate

C64H58Br3N15O13S3 — CID 160957186

IUPAC2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylacetic acid;2-[[2-[[2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylacetyl]amino]acetyl]amino]acetic acid;ethyl 2-[(2-aminoacetyl)amino]acetate;ethyl 2-[[2-[[2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylacetyl]amino]acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)CN.CCOC(=O)CNC(=O)CNC(=O)CSc1ncc(Br)n1-c1ccc(C#N)c2ccccc12.N#Cc1ccc(-n2c(Br)cnc2SCC(=O)NCC(=O)NCC(=O)O)c2ccccc12.N#Cc1ccc(-n2c(Br)cnc2SCC(=O)O)c2ccccc12
InChIInChI=1S/C22H20BrN5O4S.C20H16BrN5O4S.C16H10BrN3O2S.C6H12N2O3/c1-2-32-21(31)12-26-19(29)11-25-20(30)13-33-22-27-10-18(23)28(22)17-8-7-14(9-24)15-5-3-4-6-16(15)17;21-16-8-25-20(31-11-18(28)23-9-17(27)24-10-19(29)30)26(16)15-6-5-12(7-22)13-3-1-2-4-14(13)15;17-14-8-19-16(23-9-15(21)22)20(14)13-6-5-10(7-18)11-3-1-2-4-12(11)13;1-2-11-6(10)4-8-5(9)3-7/h3-8,10H,2,11-13H2,1H3,(H,25,30)(H,26,29);1-6,8H,9-11H2,(H,23,28)(H,24,27)(H,29,30);1-6,8H,9H2,(H,21,22);2-4,7H2,1H3,(H,8,9)
InChIKeySWNSXMUCOFHOSY-UHFFFAOYSA-N
MW1581.17 g/mol
LogP7.08
Rot. Bonds25

About 2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylacetic acid;2-[[2-[[2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylacetyl]amino]acetyl]amino]acetic acid;ethyl 2-[(2-aminoacetyl)amino]acetate;ethyl 2-[[2-[[2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylacetyl]amino]acetyl]amino]acetate

2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylacetic acid;2-[[2-[[2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylacetyl]amino]acetyl]amino]acetic acid;ethyl 2-[(2-aminoacetyl)amino]acetate;ethyl 2-[[2-[[2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylacetyl]amino]acetyl]amino]acetate (PubChem CID 160957186) has the molecular formula C64H58Br3N15O13S3 and a molecular weight of 1581.17 g/mol. Its IUPAC name is 2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylacetic acid;2-[[2-[[2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylacetyl]amino]acetyl]amino]acetic acid;ethyl 2-[(2-aminoacetyl)amino]acetate;ethyl 2-[[2-[[2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylacetyl]amino]acetyl]amino]acetate.

Molecular Properties

Compound Name2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylacetic acid;2-[[2-[[2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylacetyl]amino]acetyl]amino]acetic acid;ethyl 2-[(2-aminoacetyl)amino]acetate;ethyl 2-[[2-[[2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylacetyl]amino]acetyl]amino]acetate
PubChem CID160957186
Molecular FormulaC64H58Br3N15O13S3
Molecular Weight1581.17 g/mol
Exact Mass1577.11
IUPAC Name2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylacetic acid;2-[[2-[[2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylacetyl]amino]acetyl]amino]acetic acid;ethyl 2-[(2-aminoacetyl)amino]acetate;ethyl 2-[[2-[[2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylacetyl]amino]acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)CN.CCOC(=O)CNC(=O)CNC(=O)CSc1ncc(Br)n1-c1ccc(C#N)c2ccccc12.N#Cc1ccc(-n2c(Br)cnc2SCC(=O)NCC(=O)NCC(=O)O)c2ccccc12.N#Cc1ccc(-n2c(Br)cnc2SCC(=O)O)c2ccccc12
InChIInChI=1S/C22H20BrN5O4S.C20H16BrN5O4S.C16H10BrN3O2S.C6H12N2O3/c1-2-32-21(31)12-26-19(29)11-25-20(30)13-33-22-27-10-18(23)28(22)17-8-7-14(9-24)15-5-3-4-6-16(15)17;21-16-8-25-20(31-11-18(28)23-9-17(27)24-10-19(29)30)26(16)15-6-5-12(7-22)13-3-1-2-4-14(13)15;17-14-8-19-16(23-9-15(21)22)20(14)13-6-5-10(7-18)11-3-1-2-4-12(11)13;1-2-11-6(10)4-8-5(9)3-7/h3-8,10H,2,11-13H2,1H3,(H,25,30)(H,26,29);1-6,8H,9-11H2,(H,23,28)(H,24,27)(H,29,30);1-6,8H,9H2,(H,21,22);2-4,7H2,1H3,(H,8,9)
InChIKeySWNSXMUCOFHOSY-UHFFFAOYSA-N
XLogP7.08
TPSA423.55 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds25
Heavy Atoms98
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001581.17
LogP ≤ 57.08
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Analyze 2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylacetic acid;2-[[2-[[2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylacetyl]amino]acetyl]amino]acetic acid;ethyl 2-[(2-aminoacetyl)amino]acetate;ethyl 2-[[2-[[2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylacetyl]amino]acetyl]amino]acetate with MolForge

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Related Compounds

2-[[2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylacetyl]amino]acetic acid;2-[[2-[[2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylacetyl]amino]acetyl]amino]acetic acid;ethyl 2-aminoacetate;ethyl 2-[[2-[[2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylacetyl]amino]acetyl]amino]acetate
CID 162070566
ethyl 2-[[2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylacetyl]amino]-3-hydroxybutanoate
CID 59225891
2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanyl-N-[1-(2-ethylcyclopropyl)-2-phenylethyl]acetamide
CID 90823158
ethyl 5-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanyl-5,5-difluoro-2-(1-hydroxyethyl)-4-oxopentanoate
CID 149478786
2-(3-amino-3-oxopropyl)-5-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanyl-4-oxopentanoic acid
CID 149205030
ethyl 6-amino-2-[3-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanyl-3,3-difluoro-2-oxopropyl]hexanoate
CID 159196077
5-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanyl-5,5-difluoro-N-[2-(2-hydroxyethylamino)ethyl]-4-oxopentanamide
CID 159873087
2-[[5-bromo-4-(4-cyanonaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 70904485
potassium;2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanyl-2,2-difluoroacetate;bis(2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanyl-2,2-difluoroacetic acid);piperazine
CID 169426982
ethyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetate
CID 7020070
2-[1-(4-cyanonaphthalen-1-yl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid
CID 162662413
methyl 2-[1-(4-cyanonaphthalen-1-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetate
CID 162669727

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylacetic acid;2-[[2-[[2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylacetyl]amino]acetyl]amino]acetic acid;ethyl 2-[(2-aminoacetyl)amino]acetate;ethyl 2-[[2-[[2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylacetyl]amino]acetyl]amino]acetate?
The IUPAC name of 2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylacetic acid;2-[[2-[[2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylacetyl]amino]acetyl]amino]acetic acid;ethyl 2-[(2-aminoacetyl)amino]acetate;ethyl 2-[[2-[[2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylacetyl]amino]acetyl]amino]acetate (CID 160957186) is 2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylacetic acid;2-[[2-[[2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylacetyl]amino]acetyl]amino]acetic acid;ethyl 2-[(2-aminoacetyl)amino]acetate;ethyl 2-[[2-[[2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylacetyl]amino]acetyl]amino]acetate.
What is the SMILES notation for 2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylacetic acid;2-[[2-[[2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylacetyl]amino]acetyl]amino]acetic acid;ethyl 2-[(2-aminoacetyl)amino]acetate;ethyl 2-[[2-[[2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylacetyl]amino]acetyl]amino]acetate?
The canonical SMILES for 2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylacetic acid;2-[[2-[[2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylacetyl]amino]acetyl]amino]acetic acid;ethyl 2-[(2-aminoacetyl)amino]acetate;ethyl 2-[[2-[[2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylacetyl]amino]acetyl]amino]acetate is CCOC(=O)CNC(=O)CN.CCOC(=O)CNC(=O)CNC(=O)CSc1ncc(Br)n1-c1ccc(C#N)c2ccccc12.N#Cc1ccc(-n2c(Br)cnc2SCC(=O)NCC(=O)NCC(=O)O)c2ccccc12.N#Cc1ccc(-n2c(Br)cnc2SCC(=O)O)c2ccccc12.
What is the InChIKey of 2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylacetic acid;2-[[2-[[2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylacetyl]amino]acetyl]amino]acetic acid;ethyl 2-[(2-aminoacetyl)amino]acetate;ethyl 2-[[2-[[2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylacetyl]amino]acetyl]amino]acetate?
The InChIKey is SWNSXMUCOFHOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrN5O4S.C20H16BrN5O4S.C16H10BrN3O2S.C6H12N2O3/c1-2-32-21(31)12-26-19(29)11-25-20(30)13-33-22-27-10-18(23)28(22)17-8-7-14(9-24)15-5-3-4-6-16(15)17;21-16-8-25-20(31-11-18(28)23-9-17(27)24-10-19(29)30)26(16)15-6-5-12(7-22)13-3-1-2-4-14(13)15;17-14-8-19-16(23-9-15(21)22)20(14)13-6-5-10(7-18)11-3-1-2-4-12(11)13;1-2-11-6(10)4-8-5(9)3-7/h3-8,10H,2,11-13H2,1H3,(H,25,30)(H,26,29);1-6,8H,9-11H2,(H,23,28)(H,24,27)(H,29,30);1-6,8H,9H2,(H,21,22);2-4,7H2,1H3,(H,8,9).
What are the key properties of 2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylacetic acid;2-[[2-[[2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylacetyl]amino]acetyl]amino]acetic acid;ethyl 2-[(2-aminoacetyl)amino]acetate;ethyl 2-[[2-[[2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylacetyl]amino]acetyl]amino]acetate?
2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylacetic acid;2-[[2-[[2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylacetyl]amino]acetyl]amino]acetic acid;ethyl 2-[(2-aminoacetyl)amino]acetate;ethyl 2-[[2-[[2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylacetyl]amino]acetyl]amino]acetate has a molecular weight of 1581.17 g/mol, XLogP of 7.08, 25 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylacetic acid;2-[[2-[[2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylacetyl]amino]acetyl]amino]acetic acid;ethyl 2-[(2-aminoacetyl)amino]acetate;ethyl 2-[[2-[[2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylacetyl]amino]acetyl]amino]acetate is sourced from PubChem (CID 160957186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).