6-methyl-2-(4-pyridin-2-yloxyphenyl)-1H-benzimidazole-4-carboxylic acid

C20H15N3O3 — CID 46947377

IUPAC6-methyl-2-(4-pyridin-2-yloxyphenyl)-1H-benzimidazole-4-carboxylic acid
SMILESCc1cc(C(=O)O)c2nc(-c3ccc(Oc4ccccn4)cc3)[nH]c2c1
InChIInChI=1S/C20H15N3O3/c1-12-10-15(20(24)25)18-16(11-12)22-19(23-18)13-5-7-14(8-6-13)26-17-4-2-3-9-21-17/h2-11H,1H3,(H,22,23)(H,24,25)
InChIKeyISZZGFDIEMLRJC-UHFFFAOYSA-N
MW345.36 g/mol
LogP4.42
Rot. Bonds4

About 6-methyl-2-(4-pyridin-2-yloxyphenyl)-1H-benzimidazole-4-carboxylic acid

6-methyl-2-(4-pyridin-2-yloxyphenyl)-1H-benzimidazole-4-carboxylic acid (PubChem CID 46947377) has the molecular formula C20H15N3O3 and a molecular weight of 345.36 g/mol. Its IUPAC name is 6-methyl-2-(4-pyridin-2-yloxyphenyl)-1H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-(4-pyridin-2-yloxyphenyl)-1H-benzimidazole-4-carboxylic acid
PubChem CID46947377
Molecular FormulaC20H15N3O3
Molecular Weight345.36 g/mol
Exact Mass345.11
IUPAC Name6-methyl-2-(4-pyridin-2-yloxyphenyl)-1H-benzimidazole-4-carboxylic acid
SMILESCc1cc(C(=O)O)c2nc(-c3ccc(Oc4ccccn4)cc3)[nH]c2c1
InChIInChI=1S/C20H15N3O3/c1-12-10-15(20(24)25)18-16(11-12)22-19(23-18)13-5-7-14(8-6-13)26-17-4-2-3-9-21-17/h2-11H,1H3,(H,22,23)(H,24,25)
InChIKeyISZZGFDIEMLRJC-UHFFFAOYSA-N
XLogP4.42
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(4-pyridin-2-yloxyphenyl)-1H-benzimidazole-4-carboxylic acid?
The IUPAC name of 6-methyl-2-(4-pyridin-2-yloxyphenyl)-1H-benzimidazole-4-carboxylic acid (CID 46947377) is 6-methyl-2-(4-pyridin-2-yloxyphenyl)-1H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for 6-methyl-2-(4-pyridin-2-yloxyphenyl)-1H-benzimidazole-4-carboxylic acid?
The canonical SMILES for 6-methyl-2-(4-pyridin-2-yloxyphenyl)-1H-benzimidazole-4-carboxylic acid is Cc1cc(C(=O)O)c2nc(-c3ccc(Oc4ccccn4)cc3)[nH]c2c1.
What is the InChIKey of 6-methyl-2-(4-pyridin-2-yloxyphenyl)-1H-benzimidazole-4-carboxylic acid?
The InChIKey is ISZZGFDIEMLRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3/c1-12-10-15(20(24)25)18-16(11-12)22-19(23-18)13-5-7-14(8-6-13)26-17-4-2-3-9-21-17/h2-11H,1H3,(H,22,23)(H,24,25).
What are the key properties of 6-methyl-2-(4-pyridin-2-yloxyphenyl)-1H-benzimidazole-4-carboxylic acid?
6-methyl-2-(4-pyridin-2-yloxyphenyl)-1H-benzimidazole-4-carboxylic acid has a molecular weight of 345.36 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(4-pyridin-2-yloxyphenyl)-1H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 46947377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).