4-[5-(4-chlorophenyl)-3-piperidin-4-ylimidazol-4-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine

C26H27ClN6 — CID 155352399

IUPAC4-[5-(4-chlorophenyl)-3-piperidin-4-ylimidazol-4-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine
SMILESCc1cc(C)cc(Nc2nccc(-c3c(-c4ccc(Cl)cc4)ncn3C3CCNCC3)n2)c1
InChIInChI=1S/C26H27ClN6/c1-17-13-18(2)15-21(14-17)31-26-29-12-9-23(32-26)25-24(19-3-5-20(27)6-4-19)30-16-33(25)22-7-10-28-11-8-22/h3-6,9,12-16,22,28H,7-8,10-11H2,1-2H3,(H,29,31,32)
InChIKeyKREVZJDVPQAAER-UHFFFAOYSA-N
MW459.00 g/mol
LogP5.95
Rot. Bonds5

About 4-[5-(4-chlorophenyl)-3-piperidin-4-ylimidazol-4-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine

4-[5-(4-chlorophenyl)-3-piperidin-4-ylimidazol-4-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine (PubChem CID 155352399) has the molecular formula C26H27ClN6 and a molecular weight of 459.00 g/mol. Its IUPAC name is 4-[5-(4-chlorophenyl)-3-piperidin-4-ylimidazol-4-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[5-(4-chlorophenyl)-3-piperidin-4-ylimidazol-4-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine
PubChem CID155352399
Molecular FormulaC26H27ClN6
Molecular Weight459.00 g/mol
Exact Mass458.20
IUPAC Name4-[5-(4-chlorophenyl)-3-piperidin-4-ylimidazol-4-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine
SMILESCc1cc(C)cc(Nc2nccc(-c3c(-c4ccc(Cl)cc4)ncn3C3CCNCC3)n2)c1
InChIInChI=1S/C26H27ClN6/c1-17-13-18(2)15-21(14-17)31-26-29-12-9-23(32-26)25-24(19-3-5-20(27)6-4-19)30-16-33(25)22-7-10-28-11-8-22/h3-6,9,12-16,22,28H,7-8,10-11H2,1-2H3,(H,29,31,32)
InChIKeyKREVZJDVPQAAER-UHFFFAOYSA-N
XLogP5.95
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.00
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[5-(4-chlorophenyl)-3-piperidin-4-ylimidazol-4-yl]-N-(3,5-dimethylphenyl)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 4-[5-(4-chlorophenyl)-3-piperidin-4-ylimidazol-4-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine?
The IUPAC name of 4-[5-(4-chlorophenyl)-3-piperidin-4-ylimidazol-4-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine (CID 155352399) is 4-[5-(4-chlorophenyl)-3-piperidin-4-ylimidazol-4-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[5-(4-chlorophenyl)-3-piperidin-4-ylimidazol-4-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-[5-(4-chlorophenyl)-3-piperidin-4-ylimidazol-4-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine is Cc1cc(C)cc(Nc2nccc(-c3c(-c4ccc(Cl)cc4)ncn3C3CCNCC3)n2)c1.
What is the InChIKey of 4-[5-(4-chlorophenyl)-3-piperidin-4-ylimidazol-4-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine?
The InChIKey is KREVZJDVPQAAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN6/c1-17-13-18(2)15-21(14-17)31-26-29-12-9-23(32-26)25-24(19-3-5-20(27)6-4-19)30-16-33(25)22-7-10-28-11-8-22/h3-6,9,12-16,22,28H,7-8,10-11H2,1-2H3,(H,29,31,32).
What are the key properties of 4-[5-(4-chlorophenyl)-3-piperidin-4-ylimidazol-4-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine?
4-[5-(4-chlorophenyl)-3-piperidin-4-ylimidazol-4-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine has a molecular weight of 459.00 g/mol, XLogP of 5.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-chlorophenyl)-3-piperidin-4-ylimidazol-4-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 155352399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).