naphthalene-1,5-disulfonic acid;bis(2-(trifluoromethyl)-1H-benzimidazole)

C26H18F6N4O6S2 — CID 171929578

IUPACnaphthalene-1,5-disulfonic acid;bis(2-(trifluoromethyl)-1H-benzimidazole)
SMILESFC(F)(F)c1nc2ccccc2[nH]1.FC(F)(F)c1nc2ccccc2[nH]1.O=S(=O)(O)c1cccc2c(S(=O)(=O)O)cccc12
InChIInChI=1S/C10H8O6S2.2C8H5F3N2/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16;2*9-8(10,11)7-12-5-3-1-2-4-6(5)13-7/h1-6H,(H,11,12,13)(H,14,15,16);2*1-4H,(H,12,13)
InChIKeySVWIYYKASZTLAU-UHFFFAOYSA-N
MW660.57 g/mol
LogP6.50
Rot. Bonds2

About naphthalene-1,5-disulfonic acid;bis(2-(trifluoromethyl)-1H-benzimidazole)

naphthalene-1,5-disulfonic acid;bis(2-(trifluoromethyl)-1H-benzimidazole) (PubChem CID 171929578) has the molecular formula C26H18F6N4O6S2 and a molecular weight of 660.57 g/mol. Its IUPAC name is naphthalene-1,5-disulfonic acid;bis(2-(trifluoromethyl)-1H-benzimidazole).

Molecular Properties

Compound Namenaphthalene-1,5-disulfonic acid;bis(2-(trifluoromethyl)-1H-benzimidazole)
PubChem CID171929578
Molecular FormulaC26H18F6N4O6S2
Molecular Weight660.57 g/mol
Exact Mass660.06
IUPAC Namenaphthalene-1,5-disulfonic acid;bis(2-(trifluoromethyl)-1H-benzimidazole)
SMILESFC(F)(F)c1nc2ccccc2[nH]1.FC(F)(F)c1nc2ccccc2[nH]1.O=S(=O)(O)c1cccc2c(S(=O)(=O)O)cccc12
InChIInChI=1S/C10H8O6S2.2C8H5F3N2/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16;2*9-8(10,11)7-12-5-3-1-2-4-6(5)13-7/h1-6H,(H,11,12,13)(H,14,15,16);2*1-4H,(H,12,13)
InChIKeySVWIYYKASZTLAU-UHFFFAOYSA-N
XLogP6.50
TPSA166.10 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.57
LogP ≤ 56.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

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naphthalene-1,5-disulfonic acid;silver
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1,5-Naphthalene disulfonic acid,sodium salt
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naphthalene-1-sulfonic acid
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naphthalene-1-sulfonic acid;1,2,3,4,5-pentafluoro-6-(trifluoromethyl)benzene
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naphthalene-1-sulfonic acid;2H-triazole
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aluminum naphthalene-1-sulfonic acid
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2-bromo-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide
CID 3695952
10H-acridin-9-one;2-methylquinoline;naphthalene-1-sulfonic acid
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2-[2-(trifluoromethyl)-1H-benzimidazol-4-yl]-3H-quinazolin-4-one
CID 168553191
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CID 55213553

Frequently Asked Questions

What is the IUPAC name of naphthalene-1,5-disulfonic acid;bis(2-(trifluoromethyl)-1H-benzimidazole)?
The IUPAC name of naphthalene-1,5-disulfonic acid;bis(2-(trifluoromethyl)-1H-benzimidazole) (CID 171929578) is naphthalene-1,5-disulfonic acid;bis(2-(trifluoromethyl)-1H-benzimidazole).
What is the SMILES notation for naphthalene-1,5-disulfonic acid;bis(2-(trifluoromethyl)-1H-benzimidazole)?
The canonical SMILES for naphthalene-1,5-disulfonic acid;bis(2-(trifluoromethyl)-1H-benzimidazole) is FC(F)(F)c1nc2ccccc2[nH]1.FC(F)(F)c1nc2ccccc2[nH]1.O=S(=O)(O)c1cccc2c(S(=O)(=O)O)cccc12.
What is the InChIKey of naphthalene-1,5-disulfonic acid;bis(2-(trifluoromethyl)-1H-benzimidazole)?
The InChIKey is SVWIYYKASZTLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O6S2.2C8H5F3N2/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16;2*9-8(10,11)7-12-5-3-1-2-4-6(5)13-7/h1-6H,(H,11,12,13)(H,14,15,16);2*1-4H,(H,12,13).
What are the key properties of naphthalene-1,5-disulfonic acid;bis(2-(trifluoromethyl)-1H-benzimidazole)?
naphthalene-1,5-disulfonic acid;bis(2-(trifluoromethyl)-1H-benzimidazole) has a molecular weight of 660.57 g/mol, XLogP of 6.50, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene-1,5-disulfonic acid;bis(2-(trifluoromethyl)-1H-benzimidazole) is sourced from PubChem (CID 171929578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).