3-(1H-benzimidazol-2-ylmethoxy)-4-[(2,4-dichlorophenyl)methoxy]benzoic acid

C22H16Cl2N2O4 — CID 15546393

IUPAC3-(1H-benzimidazol-2-ylmethoxy)-4-[(2,4-dichlorophenyl)methoxy]benzoic acid
SMILESO=C(O)c1ccc(OCc2ccc(Cl)cc2Cl)c(OCc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C22H16Cl2N2O4/c23-15-7-5-14(16(24)10-15)11-29-19-8-6-13(22(27)28)9-20(19)30-12-21-25-17-3-1-2-4-18(17)26-21/h1-10H,11-12H2,(H,25,26)(H,27,28)
InChIKeyORYIPKSYDCPROY-UHFFFAOYSA-N
MW443.29 g/mol
LogP5.73
Rot. Bonds7

About 3-(1H-benzimidazol-2-ylmethoxy)-4-[(2,4-dichlorophenyl)methoxy]benzoic acid

3-(1H-benzimidazol-2-ylmethoxy)-4-[(2,4-dichlorophenyl)methoxy]benzoic acid (PubChem CID 15546393) has the molecular formula C22H16Cl2N2O4 and a molecular weight of 443.29 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-ylmethoxy)-4-[(2,4-dichlorophenyl)methoxy]benzoic acid.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-ylmethoxy)-4-[(2,4-dichlorophenyl)methoxy]benzoic acid
PubChem CID15546393
Molecular FormulaC22H16Cl2N2O4
Molecular Weight443.29 g/mol
Exact Mass442.05
IUPAC Name3-(1H-benzimidazol-2-ylmethoxy)-4-[(2,4-dichlorophenyl)methoxy]benzoic acid
SMILESO=C(O)c1ccc(OCc2ccc(Cl)cc2Cl)c(OCc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C22H16Cl2N2O4/c23-15-7-5-14(16(24)10-15)11-29-19-8-6-13(22(27)28)9-20(19)30-12-21-25-17-3-1-2-4-18(17)26-21/h1-10H,11-12H2,(H,25,26)(H,27,28)
InChIKeyORYIPKSYDCPROY-UHFFFAOYSA-N
XLogP5.73
TPSA84.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.29
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-ylmethoxy)-4-[(2,4-dichlorophenyl)methoxy]benzoic acid?
The IUPAC name of 3-(1H-benzimidazol-2-ylmethoxy)-4-[(2,4-dichlorophenyl)methoxy]benzoic acid (CID 15546393) is 3-(1H-benzimidazol-2-ylmethoxy)-4-[(2,4-dichlorophenyl)methoxy]benzoic acid.
What is the SMILES notation for 3-(1H-benzimidazol-2-ylmethoxy)-4-[(2,4-dichlorophenyl)methoxy]benzoic acid?
The canonical SMILES for 3-(1H-benzimidazol-2-ylmethoxy)-4-[(2,4-dichlorophenyl)methoxy]benzoic acid is O=C(O)c1ccc(OCc2ccc(Cl)cc2Cl)c(OCc2nc3ccccc3[nH]2)c1.
What is the InChIKey of 3-(1H-benzimidazol-2-ylmethoxy)-4-[(2,4-dichlorophenyl)methoxy]benzoic acid?
The InChIKey is ORYIPKSYDCPROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2N2O4/c23-15-7-5-14(16(24)10-15)11-29-19-8-6-13(22(27)28)9-20(19)30-12-21-25-17-3-1-2-4-18(17)26-21/h1-10H,11-12H2,(H,25,26)(H,27,28).
What are the key properties of 3-(1H-benzimidazol-2-ylmethoxy)-4-[(2,4-dichlorophenyl)methoxy]benzoic acid?
3-(1H-benzimidazol-2-ylmethoxy)-4-[(2,4-dichlorophenyl)methoxy]benzoic acid has a molecular weight of 443.29 g/mol, XLogP of 5.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-ylmethoxy)-4-[(2,4-dichlorophenyl)methoxy]benzoic acid is sourced from PubChem (CID 15546393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).