methyl 2-[3-[[1-[(2-chloro-4-fluorophenyl)methyl]benzimidazol-2-yl]methoxy]phenyl]acetate

C24H20ClFN2O3 — CID 70037006

IUPACmethyl 2-[3-[[1-[(2-chloro-4-fluorophenyl)methyl]benzimidazol-2-yl]methoxy]phenyl]acetate
SMILESCOC(=O)Cc1cccc(OCc2nc3ccccc3n2Cc2ccc(F)cc2Cl)c1
InChIInChI=1S/C24H20ClFN2O3/c1-30-24(29)12-16-5-4-6-19(11-16)31-15-23-27-21-7-2-3-8-22(21)28(23)14-17-9-10-18(26)13-20(17)25/h2-11,13H,12,14-15H2,1H3
InChIKeyKOZWTHUAFVISCI-UHFFFAOYSA-N
MW438.89 g/mol
LogP5.17
Rot. Bonds7

About methyl 2-[3-[[1-[(2-chloro-4-fluorophenyl)methyl]benzimidazol-2-yl]methoxy]phenyl]acetate

methyl 2-[3-[[1-[(2-chloro-4-fluorophenyl)methyl]benzimidazol-2-yl]methoxy]phenyl]acetate (PubChem CID 70037006) has the molecular formula C24H20ClFN2O3 and a molecular weight of 438.89 g/mol. Its IUPAC name is methyl 2-[3-[[1-[(2-chloro-4-fluorophenyl)methyl]benzimidazol-2-yl]methoxy]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[[1-[(2-chloro-4-fluorophenyl)methyl]benzimidazol-2-yl]methoxy]phenyl]acetate
PubChem CID70037006
Molecular FormulaC24H20ClFN2O3
Molecular Weight438.89 g/mol
Exact Mass438.11
IUPAC Namemethyl 2-[3-[[1-[(2-chloro-4-fluorophenyl)methyl]benzimidazol-2-yl]methoxy]phenyl]acetate
SMILESCOC(=O)Cc1cccc(OCc2nc3ccccc3n2Cc2ccc(F)cc2Cl)c1
InChIInChI=1S/C24H20ClFN2O3/c1-30-24(29)12-16-5-4-6-19(11-16)31-15-23-27-21-7-2-3-8-22(21)28(23)14-17-9-10-18(26)13-20(17)25/h2-11,13H,12,14-15H2,1H3
InChIKeyKOZWTHUAFVISCI-UHFFFAOYSA-N
XLogP5.17
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.89
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[3-[[1-[(2-chloro-4-fluorophenyl)methyl]benzimidazol-2-yl]methoxy]phenyl]acetate with MolForge

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Related Compounds

1-[(4-fluorophenyl)methyl]-2-[(3-methoxyphenoxy)methyl]benzimidazole
CID 16998087
5-fluoro-2-[[2-[[3-(trioxidanyl)phenoxy]methyl]benzimidazol-1-yl]methyl]phenol
CID 142221114
2-[(4-chlorophenoxy)methyl]-1-[(2,4-dichlorophenyl)methyl]benzimidazole
CID 3789114
1-[(3-methoxyphenyl)methyl]-2-(phenoxymethyl)benzimidazole
CID 71620987
1-benzyl-2-(phenoxymethyl)benzimidazole
CID 712249
1-[(2-chlorophenyl)methyl]-2-(methoxymethyl)benzimidazole
CID 962448
2-[[1-[(2-chloro-4-fluorophenyl)methyl]benzimidazol-2-yl]amino]ethanol
CID 51142216
N-[3-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]-2-(4-methoxyphenyl)acetamide
CID 16985537
1-[(2-chlorophenyl)methyl]-2-(naphthalen-1-yloxymethyl)benzimidazole
CID 4296806
1-benzyl-2-[(2-chlorophenoxy)methyl]benzimidazole
CID 16997302
2-[(4-ethylphenoxy)methyl]-1-[(2-methoxyphenyl)methyl]benzimidazole
CID 16998336
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(3-methoxyphenyl)acetamide
CID 17032167

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[[1-[(2-chloro-4-fluorophenyl)methyl]benzimidazol-2-yl]methoxy]phenyl]acetate?
The IUPAC name of methyl 2-[3-[[1-[(2-chloro-4-fluorophenyl)methyl]benzimidazol-2-yl]methoxy]phenyl]acetate (CID 70037006) is methyl 2-[3-[[1-[(2-chloro-4-fluorophenyl)methyl]benzimidazol-2-yl]methoxy]phenyl]acetate.
What is the SMILES notation for methyl 2-[3-[[1-[(2-chloro-4-fluorophenyl)methyl]benzimidazol-2-yl]methoxy]phenyl]acetate?
The canonical SMILES for methyl 2-[3-[[1-[(2-chloro-4-fluorophenyl)methyl]benzimidazol-2-yl]methoxy]phenyl]acetate is COC(=O)Cc1cccc(OCc2nc3ccccc3n2Cc2ccc(F)cc2Cl)c1.
What is the InChIKey of methyl 2-[3-[[1-[(2-chloro-4-fluorophenyl)methyl]benzimidazol-2-yl]methoxy]phenyl]acetate?
The InChIKey is KOZWTHUAFVISCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClFN2O3/c1-30-24(29)12-16-5-4-6-19(11-16)31-15-23-27-21-7-2-3-8-22(21)28(23)14-17-9-10-18(26)13-20(17)25/h2-11,13H,12,14-15H2,1H3.
What are the key properties of methyl 2-[3-[[1-[(2-chloro-4-fluorophenyl)methyl]benzimidazol-2-yl]methoxy]phenyl]acetate?
methyl 2-[3-[[1-[(2-chloro-4-fluorophenyl)methyl]benzimidazol-2-yl]methoxy]phenyl]acetate has a molecular weight of 438.89 g/mol, XLogP of 5.17, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[[1-[(2-chloro-4-fluorophenyl)methyl]benzimidazol-2-yl]methoxy]phenyl]acetate is sourced from PubChem (CID 70037006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).