2-[4-(1-benzylimidazol-2-yl)-4-phenylpiperidin-1-yl]pyrimidine

C25H25N5 — CID 11440849

IUPAC2-[4-(1-benzylimidazol-2-yl)-4-phenylpiperidin-1-yl]pyrimidine
SMILESc1ccc(Cn2ccnc2C2(c3ccccc3)CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C25H25N5/c1-3-8-21(9-4-1)20-30-19-16-26-23(30)25(22-10-5-2-6-11-22)12-17-29(18-13-25)24-27-14-7-15-28-24/h1-11,14-16,19H,12-13,17-18,20H2
InChIKeyXYHHNNJTSPIWFA-UHFFFAOYSA-N
MW395.51 g/mol
LogP4.31
Rot. Bonds5

About 2-[4-(1-benzylimidazol-2-yl)-4-phenylpiperidin-1-yl]pyrimidine

2-[4-(1-benzylimidazol-2-yl)-4-phenylpiperidin-1-yl]pyrimidine (PubChem CID 11440849) has the molecular formula C25H25N5 and a molecular weight of 395.51 g/mol. Its IUPAC name is 2-[4-(1-benzylimidazol-2-yl)-4-phenylpiperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-(1-benzylimidazol-2-yl)-4-phenylpiperidin-1-yl]pyrimidine
PubChem CID11440849
Molecular FormulaC25H25N5
Molecular Weight395.51 g/mol
Exact Mass395.21
IUPAC Name2-[4-(1-benzylimidazol-2-yl)-4-phenylpiperidin-1-yl]pyrimidine
SMILESc1ccc(Cn2ccnc2C2(c3ccccc3)CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C25H25N5/c1-3-8-21(9-4-1)20-30-19-16-26-23(30)25(22-10-5-2-6-11-22)12-17-29(18-13-25)24-27-14-7-15-28-24/h1-11,14-16,19H,12-13,17-18,20H2
InChIKeyXYHHNNJTSPIWFA-UHFFFAOYSA-N
XLogP4.31
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-benzylimidazol-2-yl)-4-phenylpiperidin-1-yl]pyrimidine?
The IUPAC name of 2-[4-(1-benzylimidazol-2-yl)-4-phenylpiperidin-1-yl]pyrimidine (CID 11440849) is 2-[4-(1-benzylimidazol-2-yl)-4-phenylpiperidin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-(1-benzylimidazol-2-yl)-4-phenylpiperidin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-(1-benzylimidazol-2-yl)-4-phenylpiperidin-1-yl]pyrimidine is c1ccc(Cn2ccnc2C2(c3ccccc3)CCN(c3ncccn3)CC2)cc1.
What is the InChIKey of 2-[4-(1-benzylimidazol-2-yl)-4-phenylpiperidin-1-yl]pyrimidine?
The InChIKey is XYHHNNJTSPIWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5/c1-3-8-21(9-4-1)20-30-19-16-26-23(30)25(22-10-5-2-6-11-22)12-17-29(18-13-25)24-27-14-7-15-28-24/h1-11,14-16,19H,12-13,17-18,20H2.
What are the key properties of 2-[4-(1-benzylimidazol-2-yl)-4-phenylpiperidin-1-yl]pyrimidine?
2-[4-(1-benzylimidazol-2-yl)-4-phenylpiperidin-1-yl]pyrimidine has a molecular weight of 395.51 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-benzylimidazol-2-yl)-4-phenylpiperidin-1-yl]pyrimidine is sourced from PubChem (CID 11440849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).