3-[(4-methylnaphthalen-1-yl)methyl]-2-pyridin-3-yl-5-(trifluoromethyl)imidazole-4-carboxylic acid

C22H16F3N3O2 — CID 118428135

IUPAC3-[(4-methylnaphthalen-1-yl)methyl]-2-pyridin-3-yl-5-(trifluoromethyl)imidazole-4-carboxylic acid
SMILESCc1ccc(Cn2c(-c3cccnc3)nc(C(F)(F)F)c2C(=O)O)c2ccccc12
InChIInChI=1S/C22H16F3N3O2/c1-13-8-9-15(17-7-3-2-6-16(13)17)12-28-18(21(29)30)19(22(23,24)25)27-20(28)14-5-4-10-26-11-14/h2-11H,12H2,1H3,(H,29,30)
InChIKeyIVSOTPUJNYAIJF-UHFFFAOYSA-N
MW411.38 g/mol
LogP5.17
Rot. Bonds4

About 3-[(4-methylnaphthalen-1-yl)methyl]-2-pyridin-3-yl-5-(trifluoromethyl)imidazole-4-carboxylic acid

3-[(4-methylnaphthalen-1-yl)methyl]-2-pyridin-3-yl-5-(trifluoromethyl)imidazole-4-carboxylic acid (PubChem CID 118428135) has the molecular formula C22H16F3N3O2 and a molecular weight of 411.38 g/mol. Its IUPAC name is 3-[(4-methylnaphthalen-1-yl)methyl]-2-pyridin-3-yl-5-(trifluoromethyl)imidazole-4-carboxylic acid.

Molecular Properties

Compound Name3-[(4-methylnaphthalen-1-yl)methyl]-2-pyridin-3-yl-5-(trifluoromethyl)imidazole-4-carboxylic acid
PubChem CID118428135
Molecular FormulaC22H16F3N3O2
Molecular Weight411.38 g/mol
Exact Mass411.12
IUPAC Name3-[(4-methylnaphthalen-1-yl)methyl]-2-pyridin-3-yl-5-(trifluoromethyl)imidazole-4-carboxylic acid
SMILESCc1ccc(Cn2c(-c3cccnc3)nc(C(F)(F)F)c2C(=O)O)c2ccccc12
InChIInChI=1S/C22H16F3N3O2/c1-13-8-9-15(17-7-3-2-6-16(13)17)12-28-18(21(29)30)19(22(23,24)25)27-20(28)14-5-4-10-26-11-14/h2-11H,12H2,1H3,(H,29,30)
InChIKeyIVSOTPUJNYAIJF-UHFFFAOYSA-N
XLogP5.17
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.38
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(4-methylnaphthalen-1-yl)methyl]-2-pyridin-3-yl-5-(trifluoromethyl)imidazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(naphthalen-1-ylmethyl)-2-pyridin-3-yl-5-(trifluoromethyl)imidazole-4-carboxylic acid
CID 118428141
3-[(2-ethylphenyl)methyl]-5-methyl-2-pyridin-3-ylimidazole-4-carboxylic acid
CID 118428157
5-methyl-2-pyridin-3-yl-3-[[2-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxylic acid
CID 118428159
3-[(2-cyanophenyl)methyl]-5-methyl-2-pyridin-3-ylimidazole-4-carboxylic acid
CID 118428160
(E)-3-[3-(naphthalen-1-ylmethyl)-2-pyridin-3-ylimidazol-4-yl]prop-2-enoic acid
CID 118428198
5-methyl-3-(naphthalen-1-ylmethyl)-2-(5-phenoxy-3-pyridinyl)imidazole-4-carboxylic acid
CID 118416804
3-[(4-bromo-1-benzothiophen-3-yl)methyl]-5-propan-2-yl-2-pyridin-3-ylimidazole-4-carboxylic acid
CID 118416836
3-(4-hydroxybutyl)-2-pyridin-3-ylquinazolin-4-one;hydrochloride
CID 135154211
3-(1-benzothiophen-3-ylmethyl)-2-(5-chloro-3-pyridinyl)-5-methylimidazole-4-carboxylic acid
CID 118416856
5-methyl-6-pyridin-3-ylpyridine-2-carboxylic acid
CID 140658207
2-(6-methyl-4-oxo-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-3-yl)acetic acid
CID 28899206
3-(3-hydroxy-4-methylphenyl)-2-pyridin-3-ylquinazolin-4-one;hydrochloride
CID 135154717

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylnaphthalen-1-yl)methyl]-2-pyridin-3-yl-5-(trifluoromethyl)imidazole-4-carboxylic acid?
The IUPAC name of 3-[(4-methylnaphthalen-1-yl)methyl]-2-pyridin-3-yl-5-(trifluoromethyl)imidazole-4-carboxylic acid (CID 118428135) is 3-[(4-methylnaphthalen-1-yl)methyl]-2-pyridin-3-yl-5-(trifluoromethyl)imidazole-4-carboxylic acid.
What is the SMILES notation for 3-[(4-methylnaphthalen-1-yl)methyl]-2-pyridin-3-yl-5-(trifluoromethyl)imidazole-4-carboxylic acid?
The canonical SMILES for 3-[(4-methylnaphthalen-1-yl)methyl]-2-pyridin-3-yl-5-(trifluoromethyl)imidazole-4-carboxylic acid is Cc1ccc(Cn2c(-c3cccnc3)nc(C(F)(F)F)c2C(=O)O)c2ccccc12.
What is the InChIKey of 3-[(4-methylnaphthalen-1-yl)methyl]-2-pyridin-3-yl-5-(trifluoromethyl)imidazole-4-carboxylic acid?
The InChIKey is IVSOTPUJNYAIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N3O2/c1-13-8-9-15(17-7-3-2-6-16(13)17)12-28-18(21(29)30)19(22(23,24)25)27-20(28)14-5-4-10-26-11-14/h2-11H,12H2,1H3,(H,29,30).
What are the key properties of 3-[(4-methylnaphthalen-1-yl)methyl]-2-pyridin-3-yl-5-(trifluoromethyl)imidazole-4-carboxylic acid?
3-[(4-methylnaphthalen-1-yl)methyl]-2-pyridin-3-yl-5-(trifluoromethyl)imidazole-4-carboxylic acid has a molecular weight of 411.38 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylnaphthalen-1-yl)methyl]-2-pyridin-3-yl-5-(trifluoromethyl)imidazole-4-carboxylic acid is sourced from PubChem (CID 118428135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).