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

C25H24BrFN6 — CID 23133386

IUPACN-(3-bromophenyl)-4-[5-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]pyrimidin-2-amine
SMILESCN1CCC(n2cnc(-c3ccc(F)cc3)c2-c2ccnc(Nc3cccc(Br)c3)n2)CC1
InChIInChI=1S/C25H24BrFN6/c1-32-13-10-21(11-14-32)33-16-29-23(17-5-7-19(27)8-6-17)24(33)22-9-12-28-25(31-22)30-20-4-2-3-18(26)15-20/h2-9,12,15-16,21H,10-11,13-14H2,1H3,(H,28,30,31)
InChIKeyWOBGSBYWOWXDST-UHFFFAOYSA-N
MW507.41 g/mol
LogP5.92
Rot. Bonds5

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

N-(3-bromophenyl)-4-[5-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]pyrimidin-2-amine (PubChem CID 23133386) has the molecular formula C25H24BrFN6 and a molecular weight of 507.41 g/mol. Its IUPAC name is N-(3-bromophenyl)-4-[5-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)-4-[5-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]pyrimidin-2-amine
PubChem CID23133386
Molecular FormulaC25H24BrFN6
Molecular Weight507.41 g/mol
Exact Mass506.12
IUPAC NameN-(3-bromophenyl)-4-[5-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]pyrimidin-2-amine
SMILESCN1CCC(n2cnc(-c3ccc(F)cc3)c2-c2ccnc(Nc3cccc(Br)c3)n2)CC1
InChIInChI=1S/C25H24BrFN6/c1-32-13-10-21(11-14-32)33-16-29-23(17-5-7-19(27)8-6-17)24(33)22-9-12-28-25(31-22)30-20-4-2-3-18(26)15-20/h2-9,12,15-16,21H,10-11,13-14H2,1H3,(H,28,30,31)
InChIKeyWOBGSBYWOWXDST-UHFFFAOYSA-N
XLogP5.92
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.41
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-bromophenyl)-4-[5-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-4-[5-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]pyrimidin-2-amine?
The IUPAC name of N-(3-bromophenyl)-4-[5-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]pyrimidin-2-amine (CID 23133386) is N-(3-bromophenyl)-4-[5-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]pyrimidin-2-amine.
What is the SMILES notation for N-(3-bromophenyl)-4-[5-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]pyrimidin-2-amine?
The canonical SMILES for N-(3-bromophenyl)-4-[5-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]pyrimidin-2-amine is CN1CCC(n2cnc(-c3ccc(F)cc3)c2-c2ccnc(Nc3cccc(Br)c3)n2)CC1.
What is the InChIKey of N-(3-bromophenyl)-4-[5-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]pyrimidin-2-amine?
The InChIKey is WOBGSBYWOWXDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24BrFN6/c1-32-13-10-21(11-14-32)33-16-29-23(17-5-7-19(27)8-6-17)24(33)22-9-12-28-25(31-22)30-20-4-2-3-18(26)15-20/h2-9,12,15-16,21H,10-11,13-14H2,1H3,(H,28,30,31).
What are the key properties of N-(3-bromophenyl)-4-[5-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]pyrimidin-2-amine?
N-(3-bromophenyl)-4-[5-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]pyrimidin-2-amine has a molecular weight of 507.41 g/mol, XLogP of 5.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-4-[5-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 23133386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).