2-[4-(4-chlorophenoxy)phenyl]-3H-benzimidazole-5-carboxylic acid

C20H13ClN2O3 — CID 10155700

IUPAC2-[4-(4-chlorophenoxy)phenyl]-3H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3ccc(Oc4ccc(Cl)cc4)cc3)[nH]c2c1
InChIInChI=1S/C20H13ClN2O3/c21-14-4-8-16(9-5-14)26-15-6-1-12(2-7-15)19-22-17-10-3-13(20(24)25)11-18(17)23-19/h1-11H,(H,22,23)(H,24,25)
InChIKeyIYDLNJYJAXUZOJ-UHFFFAOYSA-N
MW364.79 g/mol
LogP5.37
Rot. Bonds4

About 2-[4-(4-chlorophenoxy)phenyl]-3H-benzimidazole-5-carboxylic acid

2-[4-(4-chlorophenoxy)phenyl]-3H-benzimidazole-5-carboxylic acid (PubChem CID 10155700) has the molecular formula C20H13ClN2O3 and a molecular weight of 364.79 g/mol. Its IUPAC name is 2-[4-(4-chlorophenoxy)phenyl]-3H-benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[4-(4-chlorophenoxy)phenyl]-3H-benzimidazole-5-carboxylic acid
PubChem CID10155700
Molecular FormulaC20H13ClN2O3
Molecular Weight364.79 g/mol
Exact Mass364.06
IUPAC Name2-[4-(4-chlorophenoxy)phenyl]-3H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3ccc(Oc4ccc(Cl)cc4)cc3)[nH]c2c1
InChIInChI=1S/C20H13ClN2O3/c21-14-4-8-16(9-5-14)26-15-6-1-12(2-7-15)19-22-17-10-3-13(20(24)25)11-18(17)23-19/h1-11H,(H,22,23)(H,24,25)
InChIKeyIYDLNJYJAXUZOJ-UHFFFAOYSA-N
XLogP5.37
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.79
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-hydroxyphenyl)-3H-benzimidazole-5-carboxylic acid
CID 162148176
methyl 2-(4-chlorophenyl)-3H-benzimidazole-5-carboxylate
CID 3008656
2-(4-aminophenyl)-3H-benzimidazole-5-carboxylic acid
CID 774873
4-[6-[2-(4-carboxyphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoic acid
CID 1211927
2-[3-chloro-4-(3-chloro-4-methylphenoxy)phenyl]-3H-benzimidazole-5-carboxylic acid
CID 68839327
2-pyridin-4-yl-3H-benzimidazole-5-carboxylic acid
CID 2771800
[2-(4-phenoxyphenyl)-3H-benzimidazol-5-yl] hydrogen carbonate
CID 67362236
ethyl 2-(4-chlorophenyl)-3H-benzimidazole-5-carboxylate
CID 91673681
2-[4-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxylic acid
CID 22097796
2-[2-[2-(4-chlorophenyl)phenyl]quinolin-6-yl]-3H-benzimidazole-5-carboxylic acid
CID 5275979
2-[3-chloro-4-(3,4-dimethoxyphenoxy)phenyl]-3H-benzimidazole-5-carboxylic acid
CID 68841961
2-(4-fluoro-3-methoxyphenyl)-3H-benzimidazole-5-carboxylic acid
CID 81288878

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenoxy)phenyl]-3H-benzimidazole-5-carboxylic acid?
The IUPAC name of 2-[4-(4-chlorophenoxy)phenyl]-3H-benzimidazole-5-carboxylic acid (CID 10155700) is 2-[4-(4-chlorophenoxy)phenyl]-3H-benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-[4-(4-chlorophenoxy)phenyl]-3H-benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-[4-(4-chlorophenoxy)phenyl]-3H-benzimidazole-5-carboxylic acid is O=C(O)c1ccc2nc(-c3ccc(Oc4ccc(Cl)cc4)cc3)[nH]c2c1.
What is the InChIKey of 2-[4-(4-chlorophenoxy)phenyl]-3H-benzimidazole-5-carboxylic acid?
The InChIKey is IYDLNJYJAXUZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN2O3/c21-14-4-8-16(9-5-14)26-15-6-1-12(2-7-15)19-22-17-10-3-13(20(24)25)11-18(17)23-19/h1-11H,(H,22,23)(H,24,25).
What are the key properties of 2-[4-(4-chlorophenoxy)phenyl]-3H-benzimidazole-5-carboxylic acid?
2-[4-(4-chlorophenoxy)phenyl]-3H-benzimidazole-5-carboxylic acid has a molecular weight of 364.79 g/mol, XLogP of 5.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenoxy)phenyl]-3H-benzimidazole-5-carboxylic acid is sourced from PubChem (CID 10155700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).