4-[5-(2-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]-N-phenylpyrimidin-2-amine

C25H25FN6 — CID 70225638

IUPAC4-[5-(2-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]-N-phenylpyrimidin-2-amine
SMILESCN1CCC(n2cnc(-c3ccccc3F)c2-c2ccnc(Nc3ccccc3)n2)CC1
InChIInChI=1S/C25H25FN6/c1-31-15-12-19(13-16-31)32-17-28-23(20-9-5-6-10-21(20)26)24(32)22-11-14-27-25(30-22)29-18-7-3-2-4-8-18/h2-11,14,17,19H,12-13,15-16H2,1H3,(H,27,29,30)
InChIKeyNJQJHKURELVOTB-UHFFFAOYSA-N
MW428.52 g/mol
LogP5.16
Rot. Bonds5

About 4-[5-(2-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]-N-phenylpyrimidin-2-amine

4-[5-(2-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]-N-phenylpyrimidin-2-amine (PubChem CID 70225638) has the molecular formula C25H25FN6 and a molecular weight of 428.52 g/mol. Its IUPAC name is 4-[5-(2-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]-N-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[5-(2-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]-N-phenylpyrimidin-2-amine
PubChem CID70225638
Molecular FormulaC25H25FN6
Molecular Weight428.52 g/mol
Exact Mass428.21
IUPAC Name4-[5-(2-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]-N-phenylpyrimidin-2-amine
SMILESCN1CCC(n2cnc(-c3ccccc3F)c2-c2ccnc(Nc3ccccc3)n2)CC1
InChIInChI=1S/C25H25FN6/c1-31-15-12-19(13-16-31)32-17-28-23(20-9-5-6-10-21(20)26)24(32)22-11-14-27-25(30-22)29-18-7-3-2-4-8-18/h2-11,14,17,19H,12-13,15-16H2,1H3,(H,27,29,30)
InChIKeyNJQJHKURELVOTB-UHFFFAOYSA-N
XLogP5.16
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.52
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]-N-phenylpyrimidin-2-amine?
The IUPAC name of 4-[5-(2-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]-N-phenylpyrimidin-2-amine (CID 70225638) is 4-[5-(2-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]-N-phenylpyrimidin-2-amine.
What is the SMILES notation for 4-[5-(2-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]-N-phenylpyrimidin-2-amine?
The canonical SMILES for 4-[5-(2-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]-N-phenylpyrimidin-2-amine is CN1CCC(n2cnc(-c3ccccc3F)c2-c2ccnc(Nc3ccccc3)n2)CC1.
What is the InChIKey of 4-[5-(2-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]-N-phenylpyrimidin-2-amine?
The InChIKey is NJQJHKURELVOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6/c1-31-15-12-19(13-16-31)32-17-28-23(20-9-5-6-10-21(20)26)24(32)22-11-14-27-25(30-22)29-18-7-3-2-4-8-18/h2-11,14,17,19H,12-13,15-16H2,1H3,(H,27,29,30).
What are the key properties of 4-[5-(2-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]-N-phenylpyrimidin-2-amine?
4-[5-(2-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]-N-phenylpyrimidin-2-amine has a molecular weight of 428.52 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]-N-phenylpyrimidin-2-amine is sourced from PubChem (CID 70225638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).