2-(2-chloro-6-fluorophenyl)-4-(6-phenyl-3-pyridinyl)-1H-imidazole-5-carboxylic acid

C21H13ClFN3O2 — CID 70833482

IUPAC2-(2-chloro-6-fluorophenyl)-4-(6-phenyl-3-pyridinyl)-1H-imidazole-5-carboxylic acid
SMILESO=C(O)c1[nH]c(-c2c(F)cccc2Cl)nc1-c1ccc(-c2ccccc2)nc1
InChIInChI=1S/C21H13ClFN3O2/c22-14-7-4-8-15(23)17(14)20-25-18(19(26-20)21(27)28)13-9-10-16(24-11-13)12-5-2-1-3-6-12/h1-11H,(H,25,26)(H,27,28)
InChIKeyFXUWXOGZLDNAKK-UHFFFAOYSA-N
MW393.81 g/mol
LogP5.30
Rot. Bonds4

About 2-(2-chloro-6-fluorophenyl)-4-(6-phenyl-3-pyridinyl)-1H-imidazole-5-carboxylic acid

2-(2-chloro-6-fluorophenyl)-4-(6-phenyl-3-pyridinyl)-1H-imidazole-5-carboxylic acid (PubChem CID 70833482) has the molecular formula C21H13ClFN3O2 and a molecular weight of 393.81 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-4-(6-phenyl-3-pyridinyl)-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-4-(6-phenyl-3-pyridinyl)-1H-imidazole-5-carboxylic acid
PubChem CID70833482
Molecular FormulaC21H13ClFN3O2
Molecular Weight393.81 g/mol
Exact Mass393.07
IUPAC Name2-(2-chloro-6-fluorophenyl)-4-(6-phenyl-3-pyridinyl)-1H-imidazole-5-carboxylic acid
SMILESO=C(O)c1[nH]c(-c2c(F)cccc2Cl)nc1-c1ccc(-c2ccccc2)nc1
InChIInChI=1S/C21H13ClFN3O2/c22-14-7-4-8-15(23)17(14)20-25-18(19(26-20)21(27)28)13-9-10-16(24-11-13)12-5-2-1-3-6-12/h1-11H,(H,25,26)(H,27,28)
InChIKeyFXUWXOGZLDNAKK-UHFFFAOYSA-N
XLogP5.30
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.81
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-4-(6-phenyl-3-pyridinyl)-1H-imidazole-5-carboxylic acid?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-4-(6-phenyl-3-pyridinyl)-1H-imidazole-5-carboxylic acid (CID 70833482) is 2-(2-chloro-6-fluorophenyl)-4-(6-phenyl-3-pyridinyl)-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-4-(6-phenyl-3-pyridinyl)-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-4-(6-phenyl-3-pyridinyl)-1H-imidazole-5-carboxylic acid is O=C(O)c1[nH]c(-c2c(F)cccc2Cl)nc1-c1ccc(-c2ccccc2)nc1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-4-(6-phenyl-3-pyridinyl)-1H-imidazole-5-carboxylic acid?
The InChIKey is FXUWXOGZLDNAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClFN3O2/c22-14-7-4-8-15(23)17(14)20-25-18(19(26-20)21(27)28)13-9-10-16(24-11-13)12-5-2-1-3-6-12/h1-11H,(H,25,26)(H,27,28).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-4-(6-phenyl-3-pyridinyl)-1H-imidazole-5-carboxylic acid?
2-(2-chloro-6-fluorophenyl)-4-(6-phenyl-3-pyridinyl)-1H-imidazole-5-carboxylic acid has a molecular weight of 393.81 g/mol, XLogP of 5.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-4-(6-phenyl-3-pyridinyl)-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 70833482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).