3-[[6-(2,5-difluorophenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid

C22H16F2N2O4 — CID 25115277

IUPAC3-[[6-(2,5-difluorophenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid
SMILESCn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3cc(F)ccc3F)cc21
InChIInChI=1S/C22H16F2N2O4/c1-26-19-11-16(30-20-10-14(23)5-7-17(20)24)6-8-18(19)25-21(26)12-29-15-4-2-3-13(9-15)22(27)28/h2-11H,12H2,1H3,(H,27,28)
InChIKeyUDONKWVUKRXGRH-UHFFFAOYSA-N
MW410.38 g/mol
LogP4.92
Rot. Bonds6

About 3-[[6-(2,5-difluorophenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid

3-[[6-(2,5-difluorophenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid (PubChem CID 25115277) has the molecular formula C22H16F2N2O4 and a molecular weight of 410.38 g/mol. Its IUPAC name is 3-[[6-(2,5-difluorophenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid.

Molecular Properties

Compound Name3-[[6-(2,5-difluorophenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid
PubChem CID25115277
Molecular FormulaC22H16F2N2O4
Molecular Weight410.38 g/mol
Exact Mass410.11
IUPAC Name3-[[6-(2,5-difluorophenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid
SMILESCn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3cc(F)ccc3F)cc21
InChIInChI=1S/C22H16F2N2O4/c1-26-19-11-16(30-20-10-14(23)5-7-17(20)24)6-8-18(19)25-21(26)12-29-15-4-2-3-13(9-15)22(27)28/h2-11H,12H2,1H3,(H,27,28)
InChIKeyUDONKWVUKRXGRH-UHFFFAOYSA-N
XLogP4.92
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.38
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[[6-(2,5-difluorophenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-{[6-(4-Chloro-3-fluorophenoxy)-1-methyl-1h-benzimidazol-2-yl]methoxy}benzoic acid
CID 25115504
3-((6-((3,5-Dimethylpyridin-2-yl)oxy)-1-methyl-1H-benzo[d]imidazol-2-yl)methoxy)benzoic acid
CID 46908905
3-[[6-(2,6-Dimethylpyridin-3-yl)oxy-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid
CID 137552744
3-[[6-(2,6-Dimethylpyridin-3-yl)oxy-7-fluoranyl-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid
CID 137552745
KSP Inhibitor, 4g
CID 25164869
2-[4-(Benzyloxy)phenyl]-1-cyclohexyl-1h-benzimidazole-5-carboxylic acid
CID 491098
1-(3-methoxyphenyl)-2-methyl-1H-benzimidazole-5-carboxylic acid
CID 4516609
(11E)-11-[2-(6-methoxybenzimidazol-1-yl)ethylidene]-6H-benzo[c][1]benzoxepine-2-carboxylic acid
CID 10024655
2-[4-[Bis(4-fluorophenyl)methoxy]-2-fluoro-phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid
CID 10120254
2-[4-[Bis(4-fluorophenyl)methoxy]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid
CID 10209030
2-[4-[Bis(3-fluorophenyl)methoxy]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid
CID 10230544
1-Cyclohexyl-2-[4-(3-phenylpropoxy)phenyl]benzimidazole-5-carboxylic acid
CID 10275979

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(2,5-difluorophenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid?
The IUPAC name of 3-[[6-(2,5-difluorophenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid (CID 25115277) is 3-[[6-(2,5-difluorophenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid.
What is the SMILES notation for 3-[[6-(2,5-difluorophenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid?
The canonical SMILES for 3-[[6-(2,5-difluorophenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid is Cn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3cc(F)ccc3F)cc21.
What is the InChIKey of 3-[[6-(2,5-difluorophenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid?
The InChIKey is UDONKWVUKRXGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N2O4/c1-26-19-11-16(30-20-10-14(23)5-7-17(20)24)6-8-18(19)25-21(26)12-29-15-4-2-3-13(9-15)22(27)28/h2-11H,12H2,1H3,(H,27,28).
What are the key properties of 3-[[6-(2,5-difluorophenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid?
3-[[6-(2,5-difluorophenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid has a molecular weight of 410.38 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(2,5-difluorophenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid is sourced from PubChem (CID 25115277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).