5-[2-(1-benzylpiperidin-4-yl)-5-methyl-1H-imidazol-4-yl]-2-phenylpyrimidine

C26H27N5 — CID 67360741

IUPAC5-[2-(1-benzylpiperidin-4-yl)-5-methyl-1H-imidazol-4-yl]-2-phenylpyrimidine
SMILESCc1[nH]c(C2CCN(Cc3ccccc3)CC2)nc1-c1cnc(-c2ccccc2)nc1
InChIInChI=1S/C26H27N5/c1-19-24(23-16-27-25(28-17-23)21-10-6-3-7-11-21)30-26(29-19)22-12-14-31(15-13-22)18-20-8-4-2-5-9-20/h2-11,16-17,22H,12-15,18H2,1H3,(H,29,30)
InChIKeyAMZPVYNZHYDAKP-UHFFFAOYSA-N
MW409.54 g/mol
LogP5.22
Rot. Bonds5

About 5-[2-(1-benzylpiperidin-4-yl)-5-methyl-1H-imidazol-4-yl]-2-phenylpyrimidine

5-[2-(1-benzylpiperidin-4-yl)-5-methyl-1H-imidazol-4-yl]-2-phenylpyrimidine (PubChem CID 67360741) has the molecular formula C26H27N5 and a molecular weight of 409.54 g/mol. Its IUPAC name is 5-[2-(1-benzylpiperidin-4-yl)-5-methyl-1H-imidazol-4-yl]-2-phenylpyrimidine.

Molecular Properties

Compound Name5-[2-(1-benzylpiperidin-4-yl)-5-methyl-1H-imidazol-4-yl]-2-phenylpyrimidine
PubChem CID67360741
Molecular FormulaC26H27N5
Molecular Weight409.54 g/mol
Exact Mass409.23
IUPAC Name5-[2-(1-benzylpiperidin-4-yl)-5-methyl-1H-imidazol-4-yl]-2-phenylpyrimidine
SMILESCc1[nH]c(C2CCN(Cc3ccccc3)CC2)nc1-c1cnc(-c2ccccc2)nc1
InChIInChI=1S/C26H27N5/c1-19-24(23-16-27-25(28-17-23)21-10-6-3-7-11-21)30-26(29-19)22-12-14-31(15-13-22)18-20-8-4-2-5-9-20/h2-11,16-17,22H,12-15,18H2,1H3,(H,29,30)
InChIKeyAMZPVYNZHYDAKP-UHFFFAOYSA-N
XLogP5.22
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.54
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[2-(1-benzylpiperidin-4-yl)-5-methyl-1H-imidazol-4-yl]-2-phenylpyrimidine 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 5-[2-(1-benzylpiperidin-4-yl)-5-methyl-1H-imidazol-4-yl]-2-phenylpyrimidine?
The IUPAC name of 5-[2-(1-benzylpiperidin-4-yl)-5-methyl-1H-imidazol-4-yl]-2-phenylpyrimidine (CID 67360741) is 5-[2-(1-benzylpiperidin-4-yl)-5-methyl-1H-imidazol-4-yl]-2-phenylpyrimidine.
What is the SMILES notation for 5-[2-(1-benzylpiperidin-4-yl)-5-methyl-1H-imidazol-4-yl]-2-phenylpyrimidine?
The canonical SMILES for 5-[2-(1-benzylpiperidin-4-yl)-5-methyl-1H-imidazol-4-yl]-2-phenylpyrimidine is Cc1[nH]c(C2CCN(Cc3ccccc3)CC2)nc1-c1cnc(-c2ccccc2)nc1.
What is the InChIKey of 5-[2-(1-benzylpiperidin-4-yl)-5-methyl-1H-imidazol-4-yl]-2-phenylpyrimidine?
The InChIKey is AMZPVYNZHYDAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5/c1-19-24(23-16-27-25(28-17-23)21-10-6-3-7-11-21)30-26(29-19)22-12-14-31(15-13-22)18-20-8-4-2-5-9-20/h2-11,16-17,22H,12-15,18H2,1H3,(H,29,30).
What are the key properties of 5-[2-(1-benzylpiperidin-4-yl)-5-methyl-1H-imidazol-4-yl]-2-phenylpyrimidine?
5-[2-(1-benzylpiperidin-4-yl)-5-methyl-1H-imidazol-4-yl]-2-phenylpyrimidine has a molecular weight of 409.54 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-benzylpiperidin-4-yl)-5-methyl-1H-imidazol-4-yl]-2-phenylpyrimidine is sourced from PubChem (CID 67360741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).