2-[2-[4-(3,5-dimethylphenoxy)phenyl]benzimidazol-1-yl]acetic acid

C23H20N2O3 — CID 22683212

IUPAC2-[2-[4-(3,5-dimethylphenoxy)phenyl]benzimidazol-1-yl]acetic acid
SMILESCc1cc(C)cc(Oc2ccc(-c3nc4ccccc4n3CC(=O)O)cc2)c1
InChIInChI=1S/C23H20N2O3/c1-15-11-16(2)13-19(12-15)28-18-9-7-17(8-10-18)23-24-20-5-3-4-6-21(20)25(23)14-22(26)27/h3-13H,14H2,1-2H3,(H,26,27)
InChIKeyNHJWYTCAJZQDKC-UHFFFAOYSA-N
MW372.42 g/mol
LogP5.20
Rot. Bonds5

About 2-[2-[4-(3,5-dimethylphenoxy)phenyl]benzimidazol-1-yl]acetic acid

2-[2-[4-(3,5-dimethylphenoxy)phenyl]benzimidazol-1-yl]acetic acid (PubChem CID 22683212) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is 2-[2-[4-(3,5-dimethylphenoxy)phenyl]benzimidazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[4-(3,5-dimethylphenoxy)phenyl]benzimidazol-1-yl]acetic acid
PubChem CID22683212
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Name2-[2-[4-(3,5-dimethylphenoxy)phenyl]benzimidazol-1-yl]acetic acid
SMILESCc1cc(C)cc(Oc2ccc(-c3nc4ccccc4n3CC(=O)O)cc2)c1
InChIInChI=1S/C23H20N2O3/c1-15-11-16(2)13-19(12-15)28-18-9-7-17(8-10-18)23-24-20-5-3-4-6-21(20)25(23)14-22(26)27/h3-13H,14H2,1-2H3,(H,26,27)
InChIKeyNHJWYTCAJZQDKC-UHFFFAOYSA-N
XLogP5.20
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.42
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[4-(2-methoxyphenoxy)phenyl]benzimidazol-1-yl]acetic acid
CID 22683022
2-(2-phenylbenzimidazol-1-yl)acetic acid
CID 619876
2-[2-[4-[3-(dimethylamino)propoxy]phenyl]benzimidazol-1-yl]acetic acid
CID 22684807
2-[2-(2-methyl-4-pyridinyl)benzimidazol-1-yl]acetic acid
CID 106753326
2-[2-(4-nitrophenyl)benzimidazol-1-yl]acetic acid
CID 82144952
2-[2-(2,5-dimethoxyphenyl)benzimidazol-1-yl]acetic acid
CID 86717111
2-[2-(3-ethoxy-4-methoxyphenyl)benzimidazol-1-yl]acetic acid
CID 20994244
2-[2-(4-butoxy-3-methoxyphenyl)benzimidazol-1-yl]acetic acid
CID 20993202
2-[2-(1H-pyrazol-4-yl)benzimidazol-1-yl]acetic acid
CID 63078726
2-[2-(4-bromo-3-chlorophenyl)benzimidazol-1-yl]acetic acid
CID 81291998
5-[2-(4-methoxyphenyl)benzimidazol-1-yl]pentanoic acid
CID 57458903
2-[2-(furan-3-yl)benzimidazol-1-yl]acetic acid
CID 43349125

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(3,5-dimethylphenoxy)phenyl]benzimidazol-1-yl]acetic acid?
The IUPAC name of 2-[2-[4-(3,5-dimethylphenoxy)phenyl]benzimidazol-1-yl]acetic acid (CID 22683212) is 2-[2-[4-(3,5-dimethylphenoxy)phenyl]benzimidazol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-[4-(3,5-dimethylphenoxy)phenyl]benzimidazol-1-yl]acetic acid?
The canonical SMILES for 2-[2-[4-(3,5-dimethylphenoxy)phenyl]benzimidazol-1-yl]acetic acid is Cc1cc(C)cc(Oc2ccc(-c3nc4ccccc4n3CC(=O)O)cc2)c1.
What is the InChIKey of 2-[2-[4-(3,5-dimethylphenoxy)phenyl]benzimidazol-1-yl]acetic acid?
The InChIKey is NHJWYTCAJZQDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c1-15-11-16(2)13-19(12-15)28-18-9-7-17(8-10-18)23-24-20-5-3-4-6-21(20)25(23)14-22(26)27/h3-13H,14H2,1-2H3,(H,26,27).
What are the key properties of 2-[2-[4-(3,5-dimethylphenoxy)phenyl]benzimidazol-1-yl]acetic acid?
2-[2-[4-(3,5-dimethylphenoxy)phenyl]benzimidazol-1-yl]acetic acid has a molecular weight of 372.42 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(3,5-dimethylphenoxy)phenyl]benzimidazol-1-yl]acetic acid is sourced from PubChem (CID 22683212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).