1-[2-(4-fluorophenyl)-6-propan-2-ylpyrimidin-4-yl]imidazole-4-carboxylic acid

C17H15FN4O2 — CID 56767648

IUPAC1-[2-(4-fluorophenyl)-6-propan-2-ylpyrimidin-4-yl]imidazole-4-carboxylic acid
SMILESCC(C)c1cc(-n2cnc(C(=O)O)c2)nc(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H15FN4O2/c1-10(2)13-7-15(22-8-14(17(23)24)19-9-22)21-16(20-13)11-3-5-12(18)6-4-11/h3-10H,1-2H3,(H,23,24)
InChIKeyIRZHABIOHGDDHE-UHFFFAOYSA-N
MW326.33 g/mol
LogP3.29
Rot. Bonds4

About 1-[2-(4-fluorophenyl)-6-propan-2-ylpyrimidin-4-yl]imidazole-4-carboxylic acid

1-[2-(4-fluorophenyl)-6-propan-2-ylpyrimidin-4-yl]imidazole-4-carboxylic acid (PubChem CID 56767648) has the molecular formula C17H15FN4O2 and a molecular weight of 326.33 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-6-propan-2-ylpyrimidin-4-yl]imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-6-propan-2-ylpyrimidin-4-yl]imidazole-4-carboxylic acid
PubChem CID56767648
Molecular FormulaC17H15FN4O2
Molecular Weight326.33 g/mol
Exact Mass326.12
IUPAC Name1-[2-(4-fluorophenyl)-6-propan-2-ylpyrimidin-4-yl]imidazole-4-carboxylic acid
SMILESCC(C)c1cc(-n2cnc(C(=O)O)c2)nc(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H15FN4O2/c1-10(2)13-7-15(22-8-14(17(23)24)19-9-22)21-16(20-13)11-3-5-12(18)6-4-11/h3-10H,1-2H3,(H,23,24)
InChIKeyIRZHABIOHGDDHE-UHFFFAOYSA-N
XLogP3.29
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-6-propan-2-ylpyrimidin-4-yl]imidazole-4-carboxylic acid?
The IUPAC name of 1-[2-(4-fluorophenyl)-6-propan-2-ylpyrimidin-4-yl]imidazole-4-carboxylic acid (CID 56767648) is 1-[2-(4-fluorophenyl)-6-propan-2-ylpyrimidin-4-yl]imidazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-6-propan-2-ylpyrimidin-4-yl]imidazole-4-carboxylic acid?
The canonical SMILES for 1-[2-(4-fluorophenyl)-6-propan-2-ylpyrimidin-4-yl]imidazole-4-carboxylic acid is CC(C)c1cc(-n2cnc(C(=O)O)c2)nc(-c2ccc(F)cc2)n1.
What is the InChIKey of 1-[2-(4-fluorophenyl)-6-propan-2-ylpyrimidin-4-yl]imidazole-4-carboxylic acid?
The InChIKey is IRZHABIOHGDDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O2/c1-10(2)13-7-15(22-8-14(17(23)24)19-9-22)21-16(20-13)11-3-5-12(18)6-4-11/h3-10H,1-2H3,(H,23,24).
What are the key properties of 1-[2-(4-fluorophenyl)-6-propan-2-ylpyrimidin-4-yl]imidazole-4-carboxylic acid?
1-[2-(4-fluorophenyl)-6-propan-2-ylpyrimidin-4-yl]imidazole-4-carboxylic acid has a molecular weight of 326.33 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)-6-propan-2-ylpyrimidin-4-yl]imidazole-4-carboxylic acid is sourced from PubChem (CID 56767648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).