1-(5-chloro-2-methylphenyl)-5-(3-chlorophenyl)-2-pyridin-3-ylimidazole-4-carboxylic acid

C22H15Cl2N3O2 — CID 67954522

IUPAC1-(5-chloro-2-methylphenyl)-5-(3-chlorophenyl)-2-pyridin-3-ylimidazole-4-carboxylic acid
SMILESCc1ccc(Cl)cc1-n1c(-c2cccnc2)nc(C(=O)O)c1-c1cccc(Cl)c1
InChIInChI=1S/C22H15Cl2N3O2/c1-13-7-8-17(24)11-18(13)27-20(14-4-2-6-16(23)10-14)19(22(28)29)26-21(27)15-5-3-9-25-12-15/h2-12H,1H3,(H,28,29)
InChIKeyMLLZZMDBPQWYTL-UHFFFAOYSA-N
MW424.29 g/mol
LogP5.91
Rot. Bonds4

About 1-(5-chloro-2-methylphenyl)-5-(3-chlorophenyl)-2-pyridin-3-ylimidazole-4-carboxylic acid

1-(5-chloro-2-methylphenyl)-5-(3-chlorophenyl)-2-pyridin-3-ylimidazole-4-carboxylic acid (PubChem CID 67954522) has the molecular formula C22H15Cl2N3O2 and a molecular weight of 424.29 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-5-(3-chlorophenyl)-2-pyridin-3-ylimidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-5-(3-chlorophenyl)-2-pyridin-3-ylimidazole-4-carboxylic acid
PubChem CID67954522
Molecular FormulaC22H15Cl2N3O2
Molecular Weight424.29 g/mol
Exact Mass423.05
IUPAC Name1-(5-chloro-2-methylphenyl)-5-(3-chlorophenyl)-2-pyridin-3-ylimidazole-4-carboxylic acid
SMILESCc1ccc(Cl)cc1-n1c(-c2cccnc2)nc(C(=O)O)c1-c1cccc(Cl)c1
InChIInChI=1S/C22H15Cl2N3O2/c1-13-7-8-17(24)11-18(13)27-20(14-4-2-6-16(23)10-14)19(22(28)29)26-21(27)15-5-3-9-25-12-15/h2-12H,1H3,(H,28,29)
InChIKeyMLLZZMDBPQWYTL-UHFFFAOYSA-N
XLogP5.91
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.29
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-5-(3-chlorophenyl)-2-pyridin-3-ylimidazole-4-carboxylic acid?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-5-(3-chlorophenyl)-2-pyridin-3-ylimidazole-4-carboxylic acid (CID 67954522) is 1-(5-chloro-2-methylphenyl)-5-(3-chlorophenyl)-2-pyridin-3-ylimidazole-4-carboxylic acid.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-5-(3-chlorophenyl)-2-pyridin-3-ylimidazole-4-carboxylic acid?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-5-(3-chlorophenyl)-2-pyridin-3-ylimidazole-4-carboxylic acid is Cc1ccc(Cl)cc1-n1c(-c2cccnc2)nc(C(=O)O)c1-c1cccc(Cl)c1.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-5-(3-chlorophenyl)-2-pyridin-3-ylimidazole-4-carboxylic acid?
The InChIKey is MLLZZMDBPQWYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2N3O2/c1-13-7-8-17(24)11-18(13)27-20(14-4-2-6-16(23)10-14)19(22(28)29)26-21(27)15-5-3-9-25-12-15/h2-12H,1H3,(H,28,29).
What are the key properties of 1-(5-chloro-2-methylphenyl)-5-(3-chlorophenyl)-2-pyridin-3-ylimidazole-4-carboxylic acid?
1-(5-chloro-2-methylphenyl)-5-(3-chlorophenyl)-2-pyridin-3-ylimidazole-4-carboxylic acid has a molecular weight of 424.29 g/mol, XLogP of 5.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)-5-(3-chlorophenyl)-2-pyridin-3-ylimidazole-4-carboxylic acid is sourced from PubChem (CID 67954522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).