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

Related Compounds

1-benzyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine
CID 141321764
2-(1-benzylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridine
CID 141272197
1-[(5-methyl-1H-imidazol-2-yl)methyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine
CID 154785087
2-[4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-3-phenylquinoxaline
CID 51049790
7-(1-benzylpiperidin-4-yl)-2,6-dimethyl-5H-pyrrolo[3,2-d]pyrimidine
CID 54418391
5-[1-[(2-phenylpyrimidin-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 131929981
5-[1-(1-benzylpiperidin-4-yl)imidazol-4-yl]-2-phenylpyrimidine
CID 67361175
5-[2-[1-(cyclopropylmethyl)piperidin-4-yl]-1H-imidazol-5-yl]-2-phenylpyrimidine
CID 67361067
5-[[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-phenylpyrimidine
CID 125009924
2-phenyl-5-[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-1,2,4-triazol-3-yl]pyrimidine
CID 67360221
1-benzyl-4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 42479344
2-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazole
CID 135290527

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).