1-(4-chlorophenyl)-5-ethyl-2-(3-methyl-2-pyridinyl)imidazole-4-carboxylic acid

C18H16ClN3O2 — CID 69042065

IUPAC1-(4-chlorophenyl)-5-ethyl-2-(3-methyl-2-pyridinyl)imidazole-4-carboxylic acid
SMILESCCc1c(C(=O)O)nc(-c2ncccc2C)n1-c1ccc(Cl)cc1
InChIInChI=1S/C18H16ClN3O2/c1-3-14-16(18(23)24)21-17(15-11(2)5-4-10-20-15)22(14)13-8-6-12(19)7-9-13/h4-10H,3H2,1-2H3,(H,23,24)
InChIKeyIBZYCOCNALISJZ-UHFFFAOYSA-N
MW341.80 g/mol
LogP4.16
Rot. Bonds4

About 1-(4-chlorophenyl)-5-ethyl-2-(3-methyl-2-pyridinyl)imidazole-4-carboxylic acid

1-(4-chlorophenyl)-5-ethyl-2-(3-methyl-2-pyridinyl)imidazole-4-carboxylic acid (PubChem CID 69042065) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-ethyl-2-(3-methyl-2-pyridinyl)imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-ethyl-2-(3-methyl-2-pyridinyl)imidazole-4-carboxylic acid
PubChem CID69042065
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC Name1-(4-chlorophenyl)-5-ethyl-2-(3-methyl-2-pyridinyl)imidazole-4-carboxylic acid
SMILESCCc1c(C(=O)O)nc(-c2ncccc2C)n1-c1ccc(Cl)cc1
InChIInChI=1S/C18H16ClN3O2/c1-3-14-16(18(23)24)21-17(15-11(2)5-4-10-20-15)22(14)13-8-6-12(19)7-9-13/h4-10H,3H2,1-2H3,(H,23,24)
InChIKeyIBZYCOCNALISJZ-UHFFFAOYSA-N
XLogP4.16
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-ethyl-2-(3-methyl-2-pyridinyl)imidazole-4-carboxylic acid?
The IUPAC name of 1-(4-chlorophenyl)-5-ethyl-2-(3-methyl-2-pyridinyl)imidazole-4-carboxylic acid (CID 69042065) is 1-(4-chlorophenyl)-5-ethyl-2-(3-methyl-2-pyridinyl)imidazole-4-carboxylic acid.
What is the SMILES notation for 1-(4-chlorophenyl)-5-ethyl-2-(3-methyl-2-pyridinyl)imidazole-4-carboxylic acid?
The canonical SMILES for 1-(4-chlorophenyl)-5-ethyl-2-(3-methyl-2-pyridinyl)imidazole-4-carboxylic acid is CCc1c(C(=O)O)nc(-c2ncccc2C)n1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-5-ethyl-2-(3-methyl-2-pyridinyl)imidazole-4-carboxylic acid?
The InChIKey is IBZYCOCNALISJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-3-14-16(18(23)24)21-17(15-11(2)5-4-10-20-15)22(14)13-8-6-12(19)7-9-13/h4-10H,3H2,1-2H3,(H,23,24).
What are the key properties of 1-(4-chlorophenyl)-5-ethyl-2-(3-methyl-2-pyridinyl)imidazole-4-carboxylic acid?
1-(4-chlorophenyl)-5-ethyl-2-(3-methyl-2-pyridinyl)imidazole-4-carboxylic acid has a molecular weight of 341.80 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-ethyl-2-(3-methyl-2-pyridinyl)imidazole-4-carboxylic acid is sourced from PubChem (CID 69042065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).