2-[4-[5-(2,4-dimethoxyphenyl)benzimidazol-1-yl]phenyl]acetic acid

C23H20N2O4 — CID 118559103

IUPAC2-[4-[5-(2,4-dimethoxyphenyl)benzimidazol-1-yl]phenyl]acetic acid
SMILESCOc1ccc(-c2ccc3c(c2)ncn3-c2ccc(CC(=O)O)cc2)c(OC)c1
InChIInChI=1S/C23H20N2O4/c1-28-18-8-9-19(22(13-18)29-2)16-5-10-21-20(12-16)24-14-25(21)17-6-3-15(4-7-17)11-23(26)27/h3-10,12-14H,11H2,1-2H3,(H,26,27)
InChIKeySEHDMZUVDLOUOM-UHFFFAOYSA-N
MW388.42 g/mol
LogP4.34
Rot. Bonds6

About 2-[4-[5-(2,4-dimethoxyphenyl)benzimidazol-1-yl]phenyl]acetic acid

2-[4-[5-(2,4-dimethoxyphenyl)benzimidazol-1-yl]phenyl]acetic acid (PubChem CID 118559103) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is 2-[4-[5-(2,4-dimethoxyphenyl)benzimidazol-1-yl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[5-(2,4-dimethoxyphenyl)benzimidazol-1-yl]phenyl]acetic acid
PubChem CID118559103
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name2-[4-[5-(2,4-dimethoxyphenyl)benzimidazol-1-yl]phenyl]acetic acid
SMILESCOc1ccc(-c2ccc3c(c2)ncn3-c2ccc(CC(=O)O)cc2)c(OC)c1
InChIInChI=1S/C23H20N2O4/c1-28-18-8-9-19(22(13-18)29-2)16-5-10-21-20(12-16)24-14-25(21)17-6-3-15(4-7-17)11-23(26)27/h3-10,12-14H,11H2,1-2H3,(H,26,27)
InChIKeySEHDMZUVDLOUOM-UHFFFAOYSA-N
XLogP4.34
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[5-(4-methylsulfonylphenyl)benzimidazol-1-yl]phenyl]acetic acid
CID 118559156
2-[4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]phenyl]acetic acid
CID 118559083
ethyl 2-[4-(5-pyridin-4-ylbenzimidazol-1-yl)phenyl]acetate
CID 118559113
[4-[3-(4-methoxyphenyl)benzimidazol-5-yl]phenyl]methanol
CID 139571338
2-[4-(5-pent-4-enoylbenzimidazol-1-yl)phenyl]acetic acid
CID 170038717
2-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetic acid
CID 176513640
1-(4-methoxyphenyl)benzimidazol-5-amine
CID 783122
N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)benzimidazol-5-amine
CID 2881374
N-[4-(5-methoxybenzimidazol-1-yl)phenyl]formamide
CID 86676154
2-[4-(2-chloro-5-methoxyphenyl)phenyl]acetic acid
CID 54758883
N-[1-(4-methoxyphenyl)benzimidazol-5-yl]-N-[(4-propan-2-ylphenyl)methyl]acetamide
CID 24748634
ethyl 2-[4-[5-(2H-pyrrol-4-yl)benzimidazol-1-yl]phenyl]acetate
CID 161354962

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(2,4-dimethoxyphenyl)benzimidazol-1-yl]phenyl]acetic acid?
The IUPAC name of 2-[4-[5-(2,4-dimethoxyphenyl)benzimidazol-1-yl]phenyl]acetic acid (CID 118559103) is 2-[4-[5-(2,4-dimethoxyphenyl)benzimidazol-1-yl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[5-(2,4-dimethoxyphenyl)benzimidazol-1-yl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[5-(2,4-dimethoxyphenyl)benzimidazol-1-yl]phenyl]acetic acid is COc1ccc(-c2ccc3c(c2)ncn3-c2ccc(CC(=O)O)cc2)c(OC)c1.
What is the InChIKey of 2-[4-[5-(2,4-dimethoxyphenyl)benzimidazol-1-yl]phenyl]acetic acid?
The InChIKey is SEHDMZUVDLOUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-28-18-8-9-19(22(13-18)29-2)16-5-10-21-20(12-16)24-14-25(21)17-6-3-15(4-7-17)11-23(26)27/h3-10,12-14H,11H2,1-2H3,(H,26,27).
What are the key properties of 2-[4-[5-(2,4-dimethoxyphenyl)benzimidazol-1-yl]phenyl]acetic acid?
2-[4-[5-(2,4-dimethoxyphenyl)benzimidazol-1-yl]phenyl]acetic acid has a molecular weight of 388.42 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(2,4-dimethoxyphenyl)benzimidazol-1-yl]phenyl]acetic acid is sourced from PubChem (CID 118559103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).