5-methyl-2-pyridin-3-yl-3-[[2-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxylic acid

C18H14F3N3O3 — CID 118428159

IUPAC5-methyl-2-pyridin-3-yl-3-[[2-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxylic acid
SMILESCc1nc(-c2cccnc2)n(Cc2ccccc2OC(F)(F)F)c1C(=O)O
InChIInChI=1S/C18H14F3N3O3/c1-11-15(17(25)26)24(16(23-11)12-6-4-8-22-9-12)10-13-5-2-3-7-14(13)27-18(19,20)21/h2-9H,10H2,1H3,(H,25,26)
InChIKeyOTYAQKOGKYEQEK-UHFFFAOYSA-N
MW377.32 g/mol
LogP3.90
Rot. Bonds5

About 5-methyl-2-pyridin-3-yl-3-[[2-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxylic acid

5-methyl-2-pyridin-3-yl-3-[[2-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxylic acid (PubChem CID 118428159) has the molecular formula C18H14F3N3O3 and a molecular weight of 377.32 g/mol. Its IUPAC name is 5-methyl-2-pyridin-3-yl-3-[[2-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-2-pyridin-3-yl-3-[[2-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxylic acid
PubChem CID118428159
Molecular FormulaC18H14F3N3O3
Molecular Weight377.32 g/mol
Exact Mass377.10
IUPAC Name5-methyl-2-pyridin-3-yl-3-[[2-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxylic acid
SMILESCc1nc(-c2cccnc2)n(Cc2ccccc2OC(F)(F)F)c1C(=O)O
InChIInChI=1S/C18H14F3N3O3/c1-11-15(17(25)26)24(16(23-11)12-6-4-8-22-9-12)10-13-5-2-3-7-14(13)27-18(19,20)21/h2-9H,10H2,1H3,(H,25,26)
InChIKeyOTYAQKOGKYEQEK-UHFFFAOYSA-N
XLogP3.90
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.32
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-pyridin-3-yl-3-[[2-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxylic acid?
The IUPAC name of 5-methyl-2-pyridin-3-yl-3-[[2-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxylic acid (CID 118428159) is 5-methyl-2-pyridin-3-yl-3-[[2-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxylic acid.
What is the SMILES notation for 5-methyl-2-pyridin-3-yl-3-[[2-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxylic acid?
The canonical SMILES for 5-methyl-2-pyridin-3-yl-3-[[2-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxylic acid is Cc1nc(-c2cccnc2)n(Cc2ccccc2OC(F)(F)F)c1C(=O)O.
What is the InChIKey of 5-methyl-2-pyridin-3-yl-3-[[2-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxylic acid?
The InChIKey is OTYAQKOGKYEQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O3/c1-11-15(17(25)26)24(16(23-11)12-6-4-8-22-9-12)10-13-5-2-3-7-14(13)27-18(19,20)21/h2-9H,10H2,1H3,(H,25,26).
What are the key properties of 5-methyl-2-pyridin-3-yl-3-[[2-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxylic acid?
5-methyl-2-pyridin-3-yl-3-[[2-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxylic acid has a molecular weight of 377.32 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-pyridin-3-yl-3-[[2-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxylic acid is sourced from PubChem (CID 118428159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).