3-(naphthalen-1-ylmethyl)-2-pyridin-3-yl-5-(trifluoromethyl)imidazole-4-carboxylic acid

C21H14F3N3O2 — CID 118428141

IUPAC3-(naphthalen-1-ylmethyl)-2-pyridin-3-yl-5-(trifluoromethyl)imidazole-4-carboxylic acid
SMILESO=C(O)c1c(C(F)(F)F)nc(-c2cccnc2)n1Cc1cccc2ccccc12
InChIInChI=1S/C21H14F3N3O2/c22-21(23,24)18-17(20(28)29)27(19(26-18)14-8-4-10-25-11-14)12-15-7-3-6-13-5-1-2-9-16(13)15/h1-11H,12H2,(H,28,29)
InChIKeyNEHZXMQKFOQZNF-UHFFFAOYSA-N
MW397.36 g/mol
LogP4.86
Rot. Bonds4

About 3-(naphthalen-1-ylmethyl)-2-pyridin-3-yl-5-(trifluoromethyl)imidazole-4-carboxylic acid

3-(naphthalen-1-ylmethyl)-2-pyridin-3-yl-5-(trifluoromethyl)imidazole-4-carboxylic acid (PubChem CID 118428141) has the molecular formula C21H14F3N3O2 and a molecular weight of 397.36 g/mol. Its IUPAC name is 3-(naphthalen-1-ylmethyl)-2-pyridin-3-yl-5-(trifluoromethyl)imidazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(naphthalen-1-ylmethyl)-2-pyridin-3-yl-5-(trifluoromethyl)imidazole-4-carboxylic acid
PubChem CID118428141
Molecular FormulaC21H14F3N3O2
Molecular Weight397.36 g/mol
Exact Mass397.10
IUPAC Name3-(naphthalen-1-ylmethyl)-2-pyridin-3-yl-5-(trifluoromethyl)imidazole-4-carboxylic acid
SMILESO=C(O)c1c(C(F)(F)F)nc(-c2cccnc2)n1Cc1cccc2ccccc12
InChIInChI=1S/C21H14F3N3O2/c22-21(23,24)18-17(20(28)29)27(19(26-18)14-8-4-10-25-11-14)12-15-7-3-6-13-5-1-2-9-16(13)15/h1-11H,12H2,(H,28,29)
InChIKeyNEHZXMQKFOQZNF-UHFFFAOYSA-N
XLogP4.86
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.36
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-methylnaphthalen-1-yl)methyl]-2-pyridin-3-yl-5-(trifluoromethyl)imidazole-4-carboxylic acid
CID 118428135
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
(E)-3-[3-(naphthalen-1-ylmethyl)-2-pyridin-3-ylimidazol-4-yl]prop-2-enoic acid
CID 118428198
3-[(2-cyanophenyl)methyl]-5-methyl-2-pyridin-3-ylimidazole-4-carboxylic acid
CID 118428160
5-methyl-3-(naphthalen-1-ylmethyl)-2-(5-phenoxy-3-pyridinyl)imidazole-4-carboxylic acid
CID 118416804
N-(naphthalen-1-ylmethyl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 112816203
3-[(4-bromo-1-benzothiophen-3-yl)methyl]-5-propan-2-yl-2-pyridin-3-ylimidazole-4-carboxylic acid
CID 118416836
3-(carboxymethyl)-1-(naphthalen-1-ylmethyl)indole-2-carboxylic acid
CID 58900234
[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-pyridin-3-ylmethanone;oxalic acid
CID 17366428
1-(naphthalen-1-ylmethyl)-4-(pyridin-3-ylmethyl)piperazine
CID 770178
3-(4-hydroxybutyl)-2-pyridin-3-ylquinazolin-4-one;hydrochloride
CID 135154211

Frequently Asked Questions

What is the IUPAC name of 3-(naphthalen-1-ylmethyl)-2-pyridin-3-yl-5-(trifluoromethyl)imidazole-4-carboxylic acid?
The IUPAC name of 3-(naphthalen-1-ylmethyl)-2-pyridin-3-yl-5-(trifluoromethyl)imidazole-4-carboxylic acid (CID 118428141) is 3-(naphthalen-1-ylmethyl)-2-pyridin-3-yl-5-(trifluoromethyl)imidazole-4-carboxylic acid.
What is the SMILES notation for 3-(naphthalen-1-ylmethyl)-2-pyridin-3-yl-5-(trifluoromethyl)imidazole-4-carboxylic acid?
The canonical SMILES for 3-(naphthalen-1-ylmethyl)-2-pyridin-3-yl-5-(trifluoromethyl)imidazole-4-carboxylic acid is O=C(O)c1c(C(F)(F)F)nc(-c2cccnc2)n1Cc1cccc2ccccc12.
What is the InChIKey of 3-(naphthalen-1-ylmethyl)-2-pyridin-3-yl-5-(trifluoromethyl)imidazole-4-carboxylic acid?
The InChIKey is NEHZXMQKFOQZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3N3O2/c22-21(23,24)18-17(20(28)29)27(19(26-18)14-8-4-10-25-11-14)12-15-7-3-6-13-5-1-2-9-16(13)15/h1-11H,12H2,(H,28,29).
What are the key properties of 3-(naphthalen-1-ylmethyl)-2-pyridin-3-yl-5-(trifluoromethyl)imidazole-4-carboxylic acid?
3-(naphthalen-1-ylmethyl)-2-pyridin-3-yl-5-(trifluoromethyl)imidazole-4-carboxylic acid has a molecular weight of 397.36 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(naphthalen-1-ylmethyl)-2-pyridin-3-yl-5-(trifluoromethyl)imidazole-4-carboxylic acid is sourced from PubChem (CID 118428141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).