2-[[2-[5-bromo-1-(4-cyclopropylnaphthalen-1-yl)imidazol-2-yl]sulfanyl-2-methylpropanoyl]amino]propanoic acid;2-[[2-[5-bromo-1-(4-ethylnaphthalen-1-yl)imidazol-2-yl]sulfanyl-2-methylpropanoyl]amino]propanoic acid;2-[[2-[5-bromo-1-(4-methylnaphthalen-1-yl)imidazol-2-yl]sulfanyl-2-methylpropanoyl]amino]propanoic acid;2-[[2-[5-bromo-1-(4-propan-2-ylnaphthalen-1-yl)imidazol-2-yl]sulfanyl-2-methylpropanoyl]amino]propanoic acid;2-[[2-methyl-2-(5-methyl-1-naphthalen-1-ylimidazol-2-yl)sulfanylpropanoyl]amino]propanoic acid

C110H119Br4N15O15S5 — CID 159653896

IUPAC2-[[2-[5-bromo-1-(4-cyclopropylnaphthalen-1-yl)imidazol-2-yl]sulfanyl-2-methylpropanoyl]amino]propanoic acid;2-[[2-[5-bromo-1-(4-ethylnaphthalen-1-yl)imidazol-2-yl]sulfanyl-2-methylpropanoyl]amino]propanoic acid;2-[[2-[5-bromo-1-(4-methylnaphthalen-1-yl)imidazol-2-yl]sulfanyl-2-methylpropanoyl]amino]propanoic acid;2-[[2-[5-bromo-1-(4-propan-2-ylnaphthalen-1-yl)imidazol-2-yl]sulfanyl-2-methylpropanoyl]amino]propanoic acid;2-[[2-methyl-2-(5-methyl-1-naphthalen-1-ylimidazol-2-yl)sulfanylpropanoyl]amino]propanoic acid
SMILESCC(NC(=O)C(C)(C)Sc1ncc(Br)n1-c1ccc(C(C)C)c2ccccc12)C(=O)O.CC(NC(=O)C(C)(C)Sc1ncc(Br)n1-c1ccc(C2CC2)c2ccccc12)C(=O)O.CCc1ccc(-n2c(Br)cnc2SC(C)(C)C(=O)NC(C)C(=O)O)c2ccccc12.Cc1ccc(-n2c(Br)cnc2SC(C)(C)C(=O)NC(C)C(=O)O)c2ccccc12.Cc1cnc(SC(C)(C)C(=O)NC(C)C(=O)O)n1-c1cccc2ccccc12
InChIInChI=1S/C23H24BrN3O3S.C23H26BrN3O3S.C22H24BrN3O3S.C21H22BrN3O3S.C21H23N3O3S/c1-13(20(28)29)26-21(30)23(2,3)31-22-25-12-19(24)27(22)18-11-10-15(14-8-9-14)16-6-4-5-7-17(16)18;1-13(2)15-10-11-18(17-9-7-6-8-16(15)17)27-19(24)12-25-22(27)31-23(4,5)21(30)26-14(3)20(28)29;1-5-14-10-11-17(16-9-7-6-8-15(14)16)26-18(23)12-24-21(26)30-22(3,4)20(29)25-13(2)19(27)28;1-12-9-10-16(15-8-6-5-7-14(12)15)25-17(22)11-23-20(25)29-21(3,4)19(28)24-13(2)18(26)27;1-13-12-22-20(28-21(3,4)19(27)23-14(2)18(25)26)24(13)17-11-7-9-15-8-5-6-10-16(15)17/h4-7,10-14H,8-9H2,1-3H3,(H,26,30)(H,28,29);6-14H,1-5H3,(H,26,30)(H,28,29);6-13H,5H2,1-4H3,(H,25,29)(H,27,28);5-11,13H,1-4H3,(H,24,28)(H,26,27);5-12,14H,1-4H3,(H,23,27)(H,25,26)
InChIKeyMRXUMUJWMNNYLL-UHFFFAOYSA-N
MW2371.20 g/mol
LogP23.66
Rot. Bonds33

About 2-[[2-[5-bromo-1-(4-cyclopropylnaphthalen-1-yl)imidazol-2-yl]sulfanyl-2-methylpropanoyl]amino]propanoic acid;2-[[2-[5-bromo-1-(4-ethylnaphthalen-1-yl)imidazol-2-yl]sulfanyl-2-methylpropanoyl]amino]propanoic acid;2-[[2-[5-bromo-1-(4-methylnaphthalen-1-yl)imidazol-2-yl]sulfanyl-2-methylpropanoyl]amino]propanoic acid;2-[[2-[5-bromo-1-(4-propan-2-ylnaphthalen-1-yl)imidazol-2-yl]sulfanyl-2-methylpropanoyl]amino]propanoic acid;2-[[2-methyl-2-(5-methyl-1-naphthalen-1-ylimidazol-2-yl)sulfanylpropanoyl]amino]propanoic acid

2-[[2-[5-bromo-1-(4-cyclopropylnaphthalen-1-yl)imidazol-2-yl]sulfanyl-2-methylpropanoyl]amino]propanoic acid;2-[[2-[5-bromo-1-(4-ethylnaphthalen-1-yl)imidazol-2-yl]sulfanyl-2-methylpropanoyl]amino]propanoic acid;2-[[2-[5-bromo-1-(4-methylnaphthalen-1-yl)imidazol-2-yl]sulfanyl-2-methylpropanoyl]amino]propanoic acid;2-[[2-[5-bromo-1-(4-propan-2-ylnaphthalen-1-yl)imidazol-2-yl]sulfanyl-2-methylpropanoyl]amino]propanoic acid;2-[[2-methyl-2-(5-methyl-1-naphthalen-1-ylimidazol-2-yl)sulfanylpropanoyl]amino]propanoic acid (PubChem CID 159653896) has the molecular formula C110H119Br4N15O15S5 and a molecular weight of 2371.20 g/mol. Its IUPAC name is 2-[[2-[5-bromo-1-(4-cyclopropylnaphthalen-1-yl)imidazol-2-yl]sulfanyl-2-methylpropanoyl]amino]propanoic acid;2-[[2-[5-bromo-1-(4-ethylnaphthalen-1-yl)imidazol-2-yl]sulfanyl-2-methylpropanoyl]amino]propanoic acid;2-[[2-[5-bromo-1-(4-methylnaphthalen-1-yl)imidazol-2-yl]sulfanyl-2-methylpropanoyl]amino]propanoic acid;2-[[2-[5-bromo-1-(4-propan-2-ylnaphthalen-1-yl)imidazol-2-yl]sulfanyl-2-methylpropanoyl]amino]propanoic acid;2-[[2-methyl-2-(5-methyl-1-naphthalen-1-ylimidazol-2-yl)sulfanylpropanoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-[5-bromo-1-(4-cyclopropylnaphthalen-1-yl)imidazol-2-yl]sulfanyl-2-methylpropanoyl]amino]propanoic acid;2-[[2-[5-bromo-1-(4-ethylnaphthalen-1-yl)imidazol-2-yl]sulfanyl-2-methylpropanoyl]amino]propanoic acid;2-[[2-[5-bromo-1-(4-methylnaphthalen-1-yl)imidazol-2-yl]sulfanyl-2-methylpropanoyl]amino]propanoic acid;2-[[2-[5-bromo-1-(4-propan-2-ylnaphthalen-1-yl)imidazol-2-yl]sulfanyl-2-methylpropanoyl]amino]propanoic acid;2-[[2-methyl-2-(5-methyl-1-naphthalen-1-ylimidazol-2-yl)sulfanylpropanoyl]amino]propanoic acid
PubChem CID159653896
Molecular FormulaC110H119Br4N15O15S5
Molecular Weight2371.20 g/mol
Exact Mass2365.43
IUPAC Name2-[[2-[5-bromo-1-(4-cyclopropylnaphthalen-1-yl)imidazol-2-yl]sulfanyl-2-methylpropanoyl]amino]propanoic acid;2-[[2-[5-bromo-1-(4-ethylnaphthalen-1-yl)imidazol-2-yl]sulfanyl-2-methylpropanoyl]amino]propanoic acid;2-[[2-[5-bromo-1-(4-methylnaphthalen-1-yl)imidazol-2-yl]sulfanyl-2-methylpropanoyl]amino]propanoic acid;2-[[2-[5-bromo-1-(4-propan-2-ylnaphthalen-1-yl)imidazol-2-yl]sulfanyl-2-methylpropanoyl]amino]propanoic acid;2-[[2-methyl-2-(5-methyl-1-naphthalen-1-ylimidazol-2-yl)sulfanylpropanoyl]amino]propanoic acid
SMILESCC(NC(=O)C(C)(C)Sc1ncc(Br)n1-c1ccc(C(C)C)c2ccccc12)C(=O)O.CC(NC(=O)C(C)(C)Sc1ncc(Br)n1-c1ccc(C2CC2)c2ccccc12)C(=O)O.CCc1ccc(-n2c(Br)cnc2SC(C)(C)C(=O)NC(C)C(=O)O)c2ccccc12.Cc1ccc(-n2c(Br)cnc2SC(C)(C)C(=O)NC(C)C(=O)O)c2ccccc12.Cc1cnc(SC(C)(C)C(=O)NC(C)C(=O)O)n1-c1cccc2ccccc12
InChIInChI=1S/C23H24BrN3O3S.C23H26BrN3O3S.C22H24BrN3O3S.C21H22BrN3O3S.C21H23N3O3S/c1-13(20(28)29)26-21(30)23(2,3)31-22-25-12-19(24)27(22)18-11-10-15(14-8-9-14)16-6-4-5-7-17(16)18;1-13(2)15-10-11-18(17-9-7-6-8-16(15)17)27-19(24)12-25-22(27)31-23(4,5)21(30)26-14(3)20(28)29;1-5-14-10-11-17(16-9-7-6-8-15(14)16)26-18(23)12-24-21(26)30-22(3,4)20(29)25-13(2)19(27)28;1-12-9-10-16(15-8-6-5-7-14(12)15)25-17(22)11-23-20(25)29-21(3,4)19(28)24-13(2)18(26)27;1-13-12-22-20(28-21(3,4)19(27)23-14(2)18(25)26)24(13)17-11-7-9-15-8-5-6-10-16(15)17/h4-7,10-14H,8-9H2,1-3H3,(H,26,30)(H,28,29);6-14H,1-5H3,(H,26,30)(H,28,29);6-13H,5H2,1-4H3,(H,25,29)(H,27,28);5-11,13H,1-4H3,(H,24,28)(H,26,27);5-12,14H,1-4H3,(H,23,27)(H,25,26)
InChIKeyMRXUMUJWMNNYLL-UHFFFAOYSA-N
XLogP23.66
TPSA421.10 Ų
H-Bond Donors10
H-Bond Acceptors25
Rotatable Bonds33
Heavy Atoms149
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002371.20
LogP ≤ 523.66
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1025

Analyze 2-[[2-[5-bromo-1-(4-cyclopropylnaphthalen-1-yl)imidazol-2-yl]sulfanyl-2-methylpropanoyl]amino]propanoic acid;2-[[2-[5-bromo-1-(4-ethylnaphthalen-1-yl)imidazol-2-yl]sulfanyl-2-methylpropanoyl]amino]propanoic acid;2-[[2-[5-bromo-1-(4-methylnaphthalen-1-yl)imidazol-2-yl]sulfanyl-2-methylpropanoyl]amino]propanoic acid;2-[[2-[5-bromo-1-(4-propan-2-ylnaphthalen-1-yl)imidazol-2-yl]sulfanyl-2-methylpropanoyl]amino]propanoic acid;2-[[2-methyl-2-(5-methyl-1-naphthalen-1-ylimidazol-2-yl)sulfanylpropanoyl]amino]propanoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[5-bromo-1-(4-cyclopropylnaphthalen-1-yl)imidazol-2-yl]sulfanyl-2-methylpropanoyl]amino]propanoic acid;2-[[2-[5-bromo-1-(4-ethylnaphthalen-1-yl)imidazol-2-yl]sulfanyl-2-methylpropanoyl]amino]propanoic acid;2-[[2-[5-bromo-1-(4-methylnaphthalen-1-yl)imidazol-2-yl]sulfanyl-2-methylpropanoyl]amino]propanoic acid;2-[[2-[5-bromo-1-(4-propan-2-ylnaphthalen-1-yl)imidazol-2-yl]sulfanyl-2-methylpropanoyl]amino]propanoic acid;2-[[2-methyl-2-(5-methyl-1-naphthalen-1-ylimidazol-2-yl)sulfanylpropanoyl]amino]propanoic acid?
The IUPAC name of 2-[[2-[5-bromo-1-(4-cyclopropylnaphthalen-1-yl)imidazol-2-yl]sulfanyl-2-methylpropanoyl]amino]propanoic acid;2-[[2-[5-bromo-1-(4-ethylnaphthalen-1-yl)imidazol-2-yl]sulfanyl-2-methylpropanoyl]amino]propanoic acid;2-[[2-[5-bromo-1-(4-methylnaphthalen-1-yl)imidazol-2-yl]sulfanyl-2-methylpropanoyl]amino]propanoic acid;2-[[2-[5-bromo-1-(4-propan-2-ylnaphthalen-1-yl)imidazol-2-yl]sulfanyl-2-methylpropanoyl]amino]propanoic acid;2-[[2-methyl-2-(5-methyl-1-naphthalen-1-ylimidazol-2-yl)sulfanylpropanoyl]amino]propanoic acid (CID 159653896) is 2-[[2-[5-bromo-1-(4-cyclopropylnaphthalen-1-yl)imidazol-2-yl]sulfanyl-2-methylpropanoyl]amino]propanoic acid;2-[[2-[5-bromo-1-(4-ethylnaphthalen-1-yl)imidazol-2-yl]sulfanyl-2-methylpropanoyl]amino]propanoic acid;2-[[2-[5-bromo-1-(4-methylnaphthalen-1-yl)imidazol-2-yl]sulfanyl-2-methylpropanoyl]amino]propanoic acid;2-[[2-[5-bromo-1-(4-propan-2-ylnaphthalen-1-yl)imidazol-2-yl]sulfanyl-2-methylpropanoyl]amino]propanoic acid;2-[[2-methyl-2-(5-methyl-1-naphthalen-1-ylimidazol-2-yl)sulfanylpropanoyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-[5-bromo-1-(4-cyclopropylnaphthalen-1-yl)imidazol-2-yl]sulfanyl-2-methylpropanoyl]amino]propanoic acid;2-[[2-[5-bromo-1-(4-ethylnaphthalen-1-yl)imidazol-2-yl]sulfanyl-2-methylpropanoyl]amino]propanoic acid;2-[[2-[5-bromo-1-(4-methylnaphthalen-1-yl)imidazol-2-yl]sulfanyl-2-methylpropanoyl]amino]propanoic acid;2-[[2-[5-bromo-1-(4-propan-2-ylnaphthalen-1-yl)imidazol-2-yl]sulfanyl-2-methylpropanoyl]amino]propanoic acid;2-[[2-methyl-2-(5-methyl-1-naphthalen-1-ylimidazol-2-yl)sulfanylpropanoyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-[5-bromo-1-(4-cyclopropylnaphthalen-1-yl)imidazol-2-yl]sulfanyl-2-methylpropanoyl]amino]propanoic acid;2-[[2-[5-bromo-1-(4-ethylnaphthalen-1-yl)imidazol-2-yl]sulfanyl-2-methylpropanoyl]amino]propanoic acid;2-[[2-[5-bromo-1-(4-methylnaphthalen-1-yl)imidazol-2-yl]sulfanyl-2-methylpropanoyl]amino]propanoic acid;2-[[2-[5-bromo-1-(4-propan-2-ylnaphthalen-1-yl)imidazol-2-yl]sulfanyl-2-methylpropanoyl]amino]propanoic acid;2-[[2-methyl-2-(5-methyl-1-naphthalen-1-ylimidazol-2-yl)sulfanylpropanoyl]amino]propanoic acid is CC(NC(=O)C(C)(C)Sc1ncc(Br)n1-c1ccc(C(C)C)c2ccccc12)C(=O)O.CC(NC(=O)C(C)(C)Sc1ncc(Br)n1-c1ccc(C2CC2)c2ccccc12)C(=O)O.CCc1ccc(-n2c(Br)cnc2SC(C)(C)C(=O)NC(C)C(=O)O)c2ccccc12.Cc1ccc(-n2c(Br)cnc2SC(C)(C)C(=O)NC(C)C(=O)O)c2ccccc12.Cc1cnc(SC(C)(C)C(=O)NC(C)C(=O)O)n1-c1cccc2ccccc12.
What is the InChIKey of 2-[[2-[5-bromo-1-(4-cyclopropylnaphthalen-1-yl)imidazol-2-yl]sulfanyl-2-methylpropanoyl]amino]propanoic acid;2-[[2-[5-bromo-1-(4-ethylnaphthalen-1-yl)imidazol-2-yl]sulfanyl-2-methylpropanoyl]amino]propanoic acid;2-[[2-[5-bromo-1-(4-methylnaphthalen-1-yl)imidazol-2-yl]sulfanyl-2-methylpropanoyl]amino]propanoic acid;2-[[2-[5-bromo-1-(4-propan-2-ylnaphthalen-1-yl)imidazol-2-yl]sulfanyl-2-methylpropanoyl]amino]propanoic acid;2-[[2-methyl-2-(5-methyl-1-naphthalen-1-ylimidazol-2-yl)sulfanylpropanoyl]amino]propanoic acid?
The InChIKey is MRXUMUJWMNNYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24BrN3O3S.C23H26BrN3O3S.C22H24BrN3O3S.C21H22BrN3O3S.C21H23N3O3S/c1-13(20(28)29)26-21(30)23(2,3)31-22-25-12-19(24)27(22)18-11-10-15(14-8-9-14)16-6-4-5-7-17(16)18;1-13(2)15-10-11-18(17-9-7-6-8-16(15)17)27-19(24)12-25-22(27)31-23(4,5)21(30)26-14(3)20(28)29;1-5-14-10-11-17(16-9-7-6-8-15(14)16)26-18(23)12-24-21(26)30-22(3,4)20(29)25-13(2)19(27)28;1-12-9-10-16(15-8-6-5-7-14(12)15)25-17(22)11-23-20(25)29-21(3,4)19(28)24-13(2)18(26)27;1-13-12-22-20(28-21(3,4)19(27)23-14(2)18(25)26)24(13)17-11-7-9-15-8-5-6-10-16(15)17/h4-7,10-14H,8-9H2,1-3H3,(H,26,30)(H,28,29);6-14H,1-5H3,(H,26,30)(H,28,29);6-13H,5H2,1-4H3,(H,25,29)(H,27,28);5-11,13H,1-4H3,(H,24,28)(H,26,27);5-12,14H,1-4H3,(H,23,27)(H,25,26).
What are the key properties of 2-[[2-[5-bromo-1-(4-cyclopropylnaphthalen-1-yl)imidazol-2-yl]sulfanyl-2-methylpropanoyl]amino]propanoic acid;2-[[2-[5-bromo-1-(4-ethylnaphthalen-1-yl)imidazol-2-yl]sulfanyl-2-methylpropanoyl]amino]propanoic acid;2-[[2-[5-bromo-1-(4-methylnaphthalen-1-yl)imidazol-2-yl]sulfanyl-2-methylpropanoyl]amino]propanoic acid;2-[[2-[5-bromo-1-(4-propan-2-ylnaphthalen-1-yl)imidazol-2-yl]sulfanyl-2-methylpropanoyl]amino]propanoic acid;2-[[2-methyl-2-(5-methyl-1-naphthalen-1-ylimidazol-2-yl)sulfanylpropanoyl]amino]propanoic acid?
2-[[2-[5-bromo-1-(4-cyclopropylnaphthalen-1-yl)imidazol-2-yl]sulfanyl-2-methylpropanoyl]amino]propanoic acid;2-[[2-[5-bromo-1-(4-ethylnaphthalen-1-yl)imidazol-2-yl]sulfanyl-2-methylpropanoyl]amino]propanoic acid;2-[[2-[5-bromo-1-(4-methylnaphthalen-1-yl)imidazol-2-yl]sulfanyl-2-methylpropanoyl]amino]propanoic acid;2-[[2-[5-bromo-1-(4-propan-2-ylnaphthalen-1-yl)imidazol-2-yl]sulfanyl-2-methylpropanoyl]amino]propanoic acid;2-[[2-methyl-2-(5-methyl-1-naphthalen-1-ylimidazol-2-yl)sulfanylpropanoyl]amino]propanoic acid has a molecular weight of 2371.20 g/mol, XLogP of 23.66, 33 rotatable bonds, 10 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[5-bromo-1-(4-cyclopropylnaphthalen-1-yl)imidazol-2-yl]sulfanyl-2-methylpropanoyl]amino]propanoic acid;2-[[2-[5-bromo-1-(4-ethylnaphthalen-1-yl)imidazol-2-yl]sulfanyl-2-methylpropanoyl]amino]propanoic acid;2-[[2-[5-bromo-1-(4-methylnaphthalen-1-yl)imidazol-2-yl]sulfanyl-2-methylpropanoyl]amino]propanoic acid;2-[[2-[5-bromo-1-(4-propan-2-ylnaphthalen-1-yl)imidazol-2-yl]sulfanyl-2-methylpropanoyl]amino]propanoic acid;2-[[2-methyl-2-(5-methyl-1-naphthalen-1-ylimidazol-2-yl)sulfanylpropanoyl]amino]propanoic acid is sourced from PubChem (CID 159653896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).