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

C21H16N2O4 — CID 10269885

IUPAC2-[4-(4-methoxyphenoxy)phenyl]-3H-benzimidazole-5-carboxylic acid
SMILESCOc1ccc(Oc2ccc(-c3nc4ccc(C(=O)O)cc4[nH]3)cc2)cc1
InChIInChI=1S/C21H16N2O4/c1-26-15-7-9-17(10-8-15)27-16-5-2-13(3-6-16)20-22-18-11-4-14(21(24)25)12-19(18)23-20/h2-12H,1H3,(H,22,23)(H,24,25)
InChIKeyOEVNSTIIQXLQST-UHFFFAOYSA-N
MW360.37 g/mol
LogP4.73
Rot. Bonds5

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

2-[4-(4-methoxyphenoxy)phenyl]-3H-benzimidazole-5-carboxylic acid (PubChem CID 10269885) has the molecular formula C21H16N2O4 and a molecular weight of 360.37 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenoxy)phenyl]-3H-benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[4-(4-methoxyphenoxy)phenyl]-3H-benzimidazole-5-carboxylic acid
PubChem CID10269885
Molecular FormulaC21H16N2O4
Molecular Weight360.37 g/mol
Exact Mass360.11
IUPAC Name2-[4-(4-methoxyphenoxy)phenyl]-3H-benzimidazole-5-carboxylic acid
SMILESCOc1ccc(Oc2ccc(-c3nc4ccc(C(=O)O)cc4[nH]3)cc2)cc1
InChIInChI=1S/C21H16N2O4/c1-26-15-7-9-17(10-8-15)27-16-5-2-13(3-6-16)20-22-18-11-4-14(21(24)25)12-19(18)23-20/h2-12H,1H3,(H,22,23)(H,24,25)
InChIKeyOEVNSTIIQXLQST-UHFFFAOYSA-N
XLogP4.73
TPSA84.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenoxy)phenyl]-3H-benzimidazole-5-carboxylic acid?
The IUPAC name of 2-[4-(4-methoxyphenoxy)phenyl]-3H-benzimidazole-5-carboxylic acid (CID 10269885) is 2-[4-(4-methoxyphenoxy)phenyl]-3H-benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-[4-(4-methoxyphenoxy)phenyl]-3H-benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-[4-(4-methoxyphenoxy)phenyl]-3H-benzimidazole-5-carboxylic acid is COc1ccc(Oc2ccc(-c3nc4ccc(C(=O)O)cc4[nH]3)cc2)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenoxy)phenyl]-3H-benzimidazole-5-carboxylic acid?
The InChIKey is OEVNSTIIQXLQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O4/c1-26-15-7-9-17(10-8-15)27-16-5-2-13(3-6-16)20-22-18-11-4-14(21(24)25)12-19(18)23-20/h2-12H,1H3,(H,22,23)(H,24,25).
What are the key properties of 2-[4-(4-methoxyphenoxy)phenyl]-3H-benzimidazole-5-carboxylic acid?
2-[4-(4-methoxyphenoxy)phenyl]-3H-benzimidazole-5-carboxylic acid has a molecular weight of 360.37 g/mol, XLogP of 4.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenoxy)phenyl]-3H-benzimidazole-5-carboxylic acid is sourced from PubChem (CID 10269885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).