2-(hydroxymethyl)-3-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid

C19H15F3N2O3 — CID 90106547

IUPAC2-(hydroxymethyl)-3-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid
SMILESO=C(O)c1cnc(CO)n1Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C19H15F3N2O3/c20-19(21,22)15-7-5-14(6-8-15)13-3-1-12(2-4-13)10-24-16(18(26)27)9-23-17(24)11-25/h1-9,25H,10-11H2,(H,26,27)
InChIKeyANBKAMQEYOEYKB-UHFFFAOYSA-N
MW376.33 g/mol
LogP3.81
Rot. Bonds5

About 2-(hydroxymethyl)-3-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid

2-(hydroxymethyl)-3-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid (PubChem CID 90106547) has the molecular formula C19H15F3N2O3 and a molecular weight of 376.33 g/mol. Its IUPAC name is 2-(hydroxymethyl)-3-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(hydroxymethyl)-3-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid
PubChem CID90106547
Molecular FormulaC19H15F3N2O3
Molecular Weight376.33 g/mol
Exact Mass376.10
IUPAC Name2-(hydroxymethyl)-3-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid
SMILESO=C(O)c1cnc(CO)n1Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C19H15F3N2O3/c20-19(21,22)15-7-5-14(6-8-15)13-3-1-12(2-4-13)10-24-16(18(26)27)9-23-17(24)11-25/h1-9,25H,10-11H2,(H,26,27)
InChIKeyANBKAMQEYOEYKB-UHFFFAOYSA-N
XLogP3.81
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.33
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-3-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid?
The IUPAC name of 2-(hydroxymethyl)-3-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid (CID 90106547) is 2-(hydroxymethyl)-3-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid.
What is the SMILES notation for 2-(hydroxymethyl)-3-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid?
The canonical SMILES for 2-(hydroxymethyl)-3-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid is O=C(O)c1cnc(CO)n1Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 2-(hydroxymethyl)-3-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid?
The InChIKey is ANBKAMQEYOEYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O3/c20-19(21,22)15-7-5-14(6-8-15)13-3-1-12(2-4-13)10-24-16(18(26)27)9-23-17(24)11-25/h1-9,25H,10-11H2,(H,26,27).
What are the key properties of 2-(hydroxymethyl)-3-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid?
2-(hydroxymethyl)-3-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid has a molecular weight of 376.33 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-3-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid is sourced from PubChem (CID 90106547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).