sodium 2-[2-[4,5-bis(4-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]phenoxy]acetate

C23H17Cl2N2NaO3 — CID 23664226

IUPACsodium 2-[2-[4,5-bis(4-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]phenoxy]acetate
SMILESO=C([O-])COc1ccccc1C1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1.[Na+]
InChIInChI=1S/C23H18Cl2N2O3.Na/c24-16-9-5-14(6-10-16)21-22(15-7-11-17(25)12-8-15)27-23(26-21)18-3-1-2-4-19(18)30-13-20(28)29;/h1-12,21-22H,13H2,(H,26,27)(H,28,29);/q;+1/p-1
InChIKeySLOJNHBWGCBTSB-UHFFFAOYSA-M
MW463.30 g/mol
LogP0.96
Rot. Bonds6

About sodium 2-[2-[4,5-bis(4-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]phenoxy]acetate

sodium 2-[2-[4,5-bis(4-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]phenoxy]acetate (PubChem CID 23664226) has the molecular formula C23H17Cl2N2NaO3 and a molecular weight of 463.30 g/mol. Its IUPAC name is sodium 2-[2-[4,5-bis(4-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]phenoxy]acetate.

Molecular Properties

Compound Namesodium 2-[2-[4,5-bis(4-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]phenoxy]acetate
PubChem CID23664226
Molecular FormulaC23H17Cl2N2NaO3
Molecular Weight463.30 g/mol
Exact Mass462.05
IUPAC Namesodium 2-[2-[4,5-bis(4-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]phenoxy]acetate
SMILESO=C([O-])COc1ccccc1C1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1.[Na+]
InChIInChI=1S/C23H18Cl2N2O3.Na/c24-16-9-5-14(6-10-16)21-22(15-7-11-17(25)12-8-15)27-23(26-21)18-3-1-2-4-19(18)30-13-20(28)29;/h1-12,21-22H,13H2,(H,26,27)(H,28,29);/q;+1/p-1
InChIKeySLOJNHBWGCBTSB-UHFFFAOYSA-M
XLogP0.96
TPSA73.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.30
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of sodium 2-[2-[4,5-bis(4-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]phenoxy]acetate?
The IUPAC name of sodium 2-[2-[4,5-bis(4-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]phenoxy]acetate (CID 23664226) is sodium 2-[2-[4,5-bis(4-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]phenoxy]acetate.
What is the SMILES notation for sodium 2-[2-[4,5-bis(4-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]phenoxy]acetate?
The canonical SMILES for sodium 2-[2-[4,5-bis(4-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]phenoxy]acetate is O=C([O-])COc1ccccc1C1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1.[Na+].
What is the InChIKey of sodium 2-[2-[4,5-bis(4-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]phenoxy]acetate?
The InChIKey is SLOJNHBWGCBTSB-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H18Cl2N2O3.Na/c24-16-9-5-14(6-10-16)21-22(15-7-11-17(25)12-8-15)27-23(26-21)18-3-1-2-4-19(18)30-13-20(28)29;/h1-12,21-22H,13H2,(H,26,27)(H,28,29);/q;+1/p-1.
What are the key properties of sodium 2-[2-[4,5-bis(4-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]phenoxy]acetate?
sodium 2-[2-[4,5-bis(4-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]phenoxy]acetate has a molecular weight of 463.30 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-[2-[4,5-bis(4-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]phenoxy]acetate is sourced from PubChem (CID 23664226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).