2-[2-(5-chloro-2-phenylmethoxyphenyl)benzimidazol-1-yl]acetic acid

C22H17ClN2O3 — CID 22687001

IUPAC2-[2-(5-chloro-2-phenylmethoxyphenyl)benzimidazol-1-yl]acetic acid
SMILESO=C(O)Cn1c(-c2cc(Cl)ccc2OCc2ccccc2)nc2ccccc21
InChIInChI=1S/C22H17ClN2O3/c23-16-10-11-20(28-14-15-6-2-1-3-7-15)17(12-16)22-24-18-8-4-5-9-19(18)25(22)13-21(26)27/h1-12H,13-14H2,(H,26,27)
InChIKeyKOGDORPRHOFQCA-UHFFFAOYSA-N
MW392.84 g/mol
LogP5.02
Rot. Bonds6

About 2-[2-(5-chloro-2-phenylmethoxyphenyl)benzimidazol-1-yl]acetic acid

2-[2-(5-chloro-2-phenylmethoxyphenyl)benzimidazol-1-yl]acetic acid (PubChem CID 22687001) has the molecular formula C22H17ClN2O3 and a molecular weight of 392.84 g/mol. Its IUPAC name is 2-[2-(5-chloro-2-phenylmethoxyphenyl)benzimidazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(5-chloro-2-phenylmethoxyphenyl)benzimidazol-1-yl]acetic acid
PubChem CID22687001
Molecular FormulaC22H17ClN2O3
Molecular Weight392.84 g/mol
Exact Mass392.09
IUPAC Name2-[2-(5-chloro-2-phenylmethoxyphenyl)benzimidazol-1-yl]acetic acid
SMILESO=C(O)Cn1c(-c2cc(Cl)ccc2OCc2ccccc2)nc2ccccc21
InChIInChI=1S/C22H17ClN2O3/c23-16-10-11-20(28-14-15-6-2-1-3-7-15)17(12-16)22-24-18-8-4-5-9-19(18)25(22)13-21(26)27/h1-12H,13-14H2,(H,26,27)
InChIKeyKOGDORPRHOFQCA-UHFFFAOYSA-N
XLogP5.02
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.84
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-chloro-2-phenylmethoxyphenyl)benzimidazol-1-yl]acetic acid?
The IUPAC name of 2-[2-(5-chloro-2-phenylmethoxyphenyl)benzimidazol-1-yl]acetic acid (CID 22687001) is 2-[2-(5-chloro-2-phenylmethoxyphenyl)benzimidazol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-(5-chloro-2-phenylmethoxyphenyl)benzimidazol-1-yl]acetic acid?
The canonical SMILES for 2-[2-(5-chloro-2-phenylmethoxyphenyl)benzimidazol-1-yl]acetic acid is O=C(O)Cn1c(-c2cc(Cl)ccc2OCc2ccccc2)nc2ccccc21.
What is the InChIKey of 2-[2-(5-chloro-2-phenylmethoxyphenyl)benzimidazol-1-yl]acetic acid?
The InChIKey is KOGDORPRHOFQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O3/c23-16-10-11-20(28-14-15-6-2-1-3-7-15)17(12-16)22-24-18-8-4-5-9-19(18)25(22)13-21(26)27/h1-12H,13-14H2,(H,26,27).
What are the key properties of 2-[2-(5-chloro-2-phenylmethoxyphenyl)benzimidazol-1-yl]acetic acid?
2-[2-(5-chloro-2-phenylmethoxyphenyl)benzimidazol-1-yl]acetic acid has a molecular weight of 392.84 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-chloro-2-phenylmethoxyphenyl)benzimidazol-1-yl]acetic acid is sourced from PubChem (CID 22687001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).