2-[2-[4-(2-methoxyphenoxy)phenyl]benzimidazol-1-yl]acetic acid

C22H18N2O4 — CID 22683022

IUPAC2-[2-[4-(2-methoxyphenoxy)phenyl]benzimidazol-1-yl]acetic acid
SMILESCOc1ccccc1Oc1ccc(-c2nc3ccccc3n2CC(=O)O)cc1
InChIInChI=1S/C22H18N2O4/c1-27-19-8-4-5-9-20(19)28-16-12-10-15(11-13-16)22-23-17-6-2-3-7-18(17)24(22)14-21(25)26/h2-13H,14H2,1H3,(H,25,26)
InChIKeyHLLYFNVMFGEEAU-UHFFFAOYSA-N
MW374.40 g/mol
LogP4.59
Rot. Bonds6

About 2-[2-[4-(2-methoxyphenoxy)phenyl]benzimidazol-1-yl]acetic acid

2-[2-[4-(2-methoxyphenoxy)phenyl]benzimidazol-1-yl]acetic acid (PubChem CID 22683022) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is 2-[2-[4-(2-methoxyphenoxy)phenyl]benzimidazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[4-(2-methoxyphenoxy)phenyl]benzimidazol-1-yl]acetic acid
PubChem CID22683022
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC Name2-[2-[4-(2-methoxyphenoxy)phenyl]benzimidazol-1-yl]acetic acid
SMILESCOc1ccccc1Oc1ccc(-c2nc3ccccc3n2CC(=O)O)cc1
InChIInChI=1S/C22H18N2O4/c1-27-19-8-4-5-9-20(19)28-16-12-10-15(11-13-16)22-23-17-6-2-3-7-18(17)24(22)14-21(25)26/h2-13H,14H2,1H3,(H,25,26)
InChIKeyHLLYFNVMFGEEAU-UHFFFAOYSA-N
XLogP4.59
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[4-(3,5-dimethylphenoxy)phenyl]benzimidazol-1-yl]acetic acid
CID 22683212
2-[2-(3-ethoxy-4-methoxyphenyl)benzimidazol-1-yl]acetic acid
CID 20994244
2-[2-[4-[3-(dimethylamino)propoxy]phenyl]benzimidazol-1-yl]acetic acid
CID 22684807
2-(2-phenylbenzimidazol-1-yl)acetic acid
CID 619876
2-[2-(4-butoxy-3-methoxyphenyl)benzimidazol-1-yl]acetic acid
CID 20993202
2-[2-(2,5-dimethoxyphenyl)benzimidazol-1-yl]acetic acid
CID 86717111
5-[2-(4-methoxyphenyl)benzimidazol-1-yl]pentanoic acid
CID 57458903
1-[4-(2-methoxyphenoxy)butyl]-2-(4-methoxyphenyl)benzimidazole
CID 17001362
2-[2-(2-methoxynaphthalen-1-yl)benzimidazol-1-yl]acetic acid
CID 20989602
2-[2-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]benzimidazol-1-yl]acetic acid
CID 20989989
N-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 17033040
N-ethyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]-N-phenylacetamide
CID 17001382

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2-methoxyphenoxy)phenyl]benzimidazol-1-yl]acetic acid?
The IUPAC name of 2-[2-[4-(2-methoxyphenoxy)phenyl]benzimidazol-1-yl]acetic acid (CID 22683022) is 2-[2-[4-(2-methoxyphenoxy)phenyl]benzimidazol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-[4-(2-methoxyphenoxy)phenyl]benzimidazol-1-yl]acetic acid?
The canonical SMILES for 2-[2-[4-(2-methoxyphenoxy)phenyl]benzimidazol-1-yl]acetic acid is COc1ccccc1Oc1ccc(-c2nc3ccccc3n2CC(=O)O)cc1.
What is the InChIKey of 2-[2-[4-(2-methoxyphenoxy)phenyl]benzimidazol-1-yl]acetic acid?
The InChIKey is HLLYFNVMFGEEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4/c1-27-19-8-4-5-9-20(19)28-16-12-10-15(11-13-16)22-23-17-6-2-3-7-18(17)24(22)14-21(25)26/h2-13H,14H2,1H3,(H,25,26).
What are the key properties of 2-[2-[4-(2-methoxyphenoxy)phenyl]benzimidazol-1-yl]acetic acid?
2-[2-[4-(2-methoxyphenoxy)phenyl]benzimidazol-1-yl]acetic acid has a molecular weight of 374.40 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2-methoxyphenoxy)phenyl]benzimidazol-1-yl]acetic acid is sourced from PubChem (CID 22683022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).