bis(trifluoromethylsulfonyl)azanide;3-chloropropane-1,2-diol;1-ethenylimidazole;bis(3-(3-ethenyl-2H-imidazol-1-yl)propane-1,2-diol);chloride

C26H41Cl2F6N7O10S2-2 — CID 159921730

IUPACbis(trifluoromethylsulfonyl)azanide;3-chloropropane-1,2-diol;1-ethenylimidazole;bis(3-(3-ethenyl-2H-imidazol-1-yl)propane-1,2-diol);chloride
SMILESC=CN1C=CN(CC(O)CO)C1.C=CN1C=CN(CC(O)CO)C1.C=Cn1ccnc1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.OCC(O)CCl.[Cl-]
InChIInChI=1S/2C8H14N2O2.C5H6N2.C3H7ClO2.C2F6NO4S2.ClH/c2*1-2-9-3-4-10(7-9)5-8(12)6-11;1-2-7-4-3-6-5-7;4-1-3(6)2-5;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/h2*2-4,8,11-12H,1,5-7H2;2-5H,1H2;3,5-6H,1-2H2;;1H/q;;;;-1;/p-1
InChIKeyYFWACQKTVMQZRH-UHFFFAOYSA-M
MW860.68 g/mol
LogP-2.32
Rot. Bonds13

About bis(trifluoromethylsulfonyl)azanide;3-chloropropane-1,2-diol;1-ethenylimidazole;bis(3-(3-ethenyl-2H-imidazol-1-yl)propane-1,2-diol);chloride

bis(trifluoromethylsulfonyl)azanide;3-chloropropane-1,2-diol;1-ethenylimidazole;bis(3-(3-ethenyl-2H-imidazol-1-yl)propane-1,2-diol);chloride (PubChem CID 159921730) has the molecular formula C26H41Cl2F6N7O10S2-2 and a molecular weight of 860.68 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;3-chloropropane-1,2-diol;1-ethenylimidazole;bis(3-(3-ethenyl-2H-imidazol-1-yl)propane-1,2-diol);chloride.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;3-chloropropane-1,2-diol;1-ethenylimidazole;bis(3-(3-ethenyl-2H-imidazol-1-yl)propane-1,2-diol);chloride
PubChem CID159921730
Molecular FormulaC26H41Cl2F6N7O10S2-2
Molecular Weight860.68 g/mol
Exact Mass859.16
IUPAC Namebis(trifluoromethylsulfonyl)azanide;3-chloropropane-1,2-diol;1-ethenylimidazole;bis(3-(3-ethenyl-2H-imidazol-1-yl)propane-1,2-diol);chloride
SMILESC=CN1C=CN(CC(O)CO)C1.C=CN1C=CN(CC(O)CO)C1.C=Cn1ccnc1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.OCC(O)CCl.[Cl-]
InChIInChI=1S/2C8H14N2O2.C5H6N2.C3H7ClO2.C2F6NO4S2.ClH/c2*1-2-9-3-4-10(7-9)5-8(12)6-11;1-2-7-4-3-6-5-7;4-1-3(6)2-5;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/h2*2-4,8,11-12H,1,5-7H2;2-5H,1H2;3,5-6H,1-2H2;;1H/q;;;;-1;/p-1
InChIKeyYFWACQKTVMQZRH-UHFFFAOYSA-M
XLogP-2.32
TPSA234.54 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds13
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500860.68
LogP ≤ 5-2.32
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;3-chloropropane-1,2-diol;1-ethenylimidazole;bis(3-(3-ethenyl-2H-imidazol-1-yl)propane-1,2-diol);chloride?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;3-chloropropane-1,2-diol;1-ethenylimidazole;bis(3-(3-ethenyl-2H-imidazol-1-yl)propane-1,2-diol);chloride (CID 159921730) is bis(trifluoromethylsulfonyl)azanide;3-chloropropane-1,2-diol;1-ethenylimidazole;bis(3-(3-ethenyl-2H-imidazol-1-yl)propane-1,2-diol);chloride.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;3-chloropropane-1,2-diol;1-ethenylimidazole;bis(3-(3-ethenyl-2H-imidazol-1-yl)propane-1,2-diol);chloride?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;3-chloropropane-1,2-diol;1-ethenylimidazole;bis(3-(3-ethenyl-2H-imidazol-1-yl)propane-1,2-diol);chloride is C=CN1C=CN(CC(O)CO)C1.C=CN1C=CN(CC(O)CO)C1.C=Cn1ccnc1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.OCC(O)CCl.[Cl-].
What is the InChIKey of bis(trifluoromethylsulfonyl)azanide;3-chloropropane-1,2-diol;1-ethenylimidazole;bis(3-(3-ethenyl-2H-imidazol-1-yl)propane-1,2-diol);chloride?
The InChIKey is YFWACQKTVMQZRH-UHFFFAOYSA-M. The full InChI is InChI=1S/2C8H14N2O2.C5H6N2.C3H7ClO2.C2F6NO4S2.ClH/c2*1-2-9-3-4-10(7-9)5-8(12)6-11;1-2-7-4-3-6-5-7;4-1-3(6)2-5;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/h2*2-4,8,11-12H,1,5-7H2;2-5H,1H2;3,5-6H,1-2H2;;1H/q;;;;-1;/p-1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;3-chloropropane-1,2-diol;1-ethenylimidazole;bis(3-(3-ethenyl-2H-imidazol-1-yl)propane-1,2-diol);chloride?
bis(trifluoromethylsulfonyl)azanide;3-chloropropane-1,2-diol;1-ethenylimidazole;bis(3-(3-ethenyl-2H-imidazol-1-yl)propane-1,2-diol);chloride has a molecular weight of 860.68 g/mol, XLogP of -2.32, 13 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;3-chloropropane-1,2-diol;1-ethenylimidazole;bis(3-(3-ethenyl-2H-imidazol-1-yl)propane-1,2-diol);chloride is sourced from PubChem (CID 159921730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).