3-[2-methoxy-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-pyridinyl]imidazole-4-carboxylic acid

C19H16F3N3O5 — CID 22490071

IUPAC3-[2-methoxy-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-pyridinyl]imidazole-4-carboxylic acid
SMILESCOc1cc(OC(F)(F)F)ccc1-c1nc(OC)c(-n2cncc2C(=O)O)cc1C
InChIInChI=1S/C19H16F3N3O5/c1-10-6-13(25-9-23-8-14(25)18(26)27)17(29-3)24-16(10)12-5-4-11(7-15(12)28-2)30-19(20,21)22/h4-9H,1-3H3,(H,26,27)
InChIKeyRODILMITEFAMLJ-UHFFFAOYSA-N
MW423.35 g/mol
LogP3.86
Rot. Bonds6

About 3-[2-methoxy-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-pyridinyl]imidazole-4-carboxylic acid

3-[2-methoxy-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-pyridinyl]imidazole-4-carboxylic acid (PubChem CID 22490071) has the molecular formula C19H16F3N3O5 and a molecular weight of 423.35 g/mol. Its IUPAC name is 3-[2-methoxy-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-pyridinyl]imidazole-4-carboxylic acid.

Molecular Properties

Compound Name3-[2-methoxy-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-pyridinyl]imidazole-4-carboxylic acid
PubChem CID22490071
Molecular FormulaC19H16F3N3O5
Molecular Weight423.35 g/mol
Exact Mass423.10
IUPAC Name3-[2-methoxy-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-pyridinyl]imidazole-4-carboxylic acid
SMILESCOc1cc(OC(F)(F)F)ccc1-c1nc(OC)c(-n2cncc2C(=O)O)cc1C
InChIInChI=1S/C19H16F3N3O5/c1-10-6-13(25-9-23-8-14(25)18(26)27)17(29-3)24-16(10)12-5-4-11(7-15(12)28-2)30-19(20,21)22/h4-9H,1-3H3,(H,26,27)
InChIKeyRODILMITEFAMLJ-UHFFFAOYSA-N
XLogP3.86
TPSA95.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.35
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxy-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-pyridinyl]imidazole-4-carboxylic acid?
The IUPAC name of 3-[2-methoxy-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-pyridinyl]imidazole-4-carboxylic acid (CID 22490071) is 3-[2-methoxy-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-pyridinyl]imidazole-4-carboxylic acid.
What is the SMILES notation for 3-[2-methoxy-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-pyridinyl]imidazole-4-carboxylic acid?
The canonical SMILES for 3-[2-methoxy-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-pyridinyl]imidazole-4-carboxylic acid is COc1cc(OC(F)(F)F)ccc1-c1nc(OC)c(-n2cncc2C(=O)O)cc1C.
What is the InChIKey of 3-[2-methoxy-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-pyridinyl]imidazole-4-carboxylic acid?
The InChIKey is RODILMITEFAMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O5/c1-10-6-13(25-9-23-8-14(25)18(26)27)17(29-3)24-16(10)12-5-4-11(7-15(12)28-2)30-19(20,21)22/h4-9H,1-3H3,(H,26,27).
What are the key properties of 3-[2-methoxy-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-pyridinyl]imidazole-4-carboxylic acid?
3-[2-methoxy-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-pyridinyl]imidazole-4-carboxylic acid has a molecular weight of 423.35 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxy-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-pyridinyl]imidazole-4-carboxylic acid is sourced from PubChem (CID 22490071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).