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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Related Compounds

N-(3-bromophenyl)-4-[5-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]pyrimidin-2-amine
CID 23133386
4-[5-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]-N-propan-2-ylpyrimidin-2-amine
CID 23133387
8-[3-(1-methylpiperidin-4-yl)-5-phenylimidazol-4-yl]quinoline
CID 50971873
4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
CID 162424586
4-(1-methylpyrazol-4-yl)-N-phenylpyrimidin-2-amine
CID 104609504
N'-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]ethane-1,2-diamine
CID 142630915
benzyl N-[4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-yl]carbamate
CID 153461579
2-fluoro-N-[3-[3-[2-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]benzamide
CID 52934063
4-(3-bromo-4-fluorophenyl)-N-phenylpyrimidin-2-amine
CID 104609469
4-(4-morpholin-4-ylpiperidin-1-yl)-N-phenylpyrimidin-2-amine
CID 58432936
4-(3-cyclopent-3-en-1-yl-5-phenylimidazol-4-yl)-2-ethylpyrimidine
CID 50979575
tert-butyl 4-[5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-(4-methylphenyl)imidazol-1-yl]piperidine-1-carboxylate;N-(3,5-dimethylphenyl)-4-[5-(4-methylphenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-amine
CID 162207392

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).