2-[2-(4-chlorophenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]-1H-imidazol-4-yl]pyrimidine

C26H26ClN5 — CID 54670731

IUPAC2-[2-(4-chlorophenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]-1H-imidazol-4-yl]pyrimidine
SMILESClc1ccc(-c2nc(-c3ncccn3)c(C3CCN(CCc4ccccc4)CC3)[nH]2)cc1
InChIInChI=1S/C26H26ClN5/c27-22-9-7-21(8-10-22)25-30-23(24(31-25)26-28-14-4-15-29-26)20-12-17-32(18-13-20)16-11-19-5-2-1-3-6-19/h1-10,14-15,20H,11-13,16-18H2,(H,30,31)
InChIKeyCQQKTUASFMHQMA-UHFFFAOYSA-N
MW443.98 g/mol
LogP5.61
Rot. Bonds6

About 2-[2-(4-chlorophenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]-1H-imidazol-4-yl]pyrimidine

2-[2-(4-chlorophenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]-1H-imidazol-4-yl]pyrimidine (PubChem CID 54670731) has the molecular formula C26H26ClN5 and a molecular weight of 443.98 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]-1H-imidazol-4-yl]pyrimidine.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]-1H-imidazol-4-yl]pyrimidine
PubChem CID54670731
Molecular FormulaC26H26ClN5
Molecular Weight443.98 g/mol
Exact Mass443.19
IUPAC Name2-[2-(4-chlorophenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]-1H-imidazol-4-yl]pyrimidine
SMILESClc1ccc(-c2nc(-c3ncccn3)c(C3CCN(CCc4ccccc4)CC3)[nH]2)cc1
InChIInChI=1S/C26H26ClN5/c27-22-9-7-21(8-10-22)25-30-23(24(31-25)26-28-14-4-15-29-26)20-12-17-32(18-13-20)16-11-19-5-2-1-3-6-19/h1-10,14-15,20H,11-13,16-18H2,(H,30,31)
InChIKeyCQQKTUASFMHQMA-UHFFFAOYSA-N
XLogP5.61
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.98
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-(4-chlorophenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]-1H-imidazol-4-yl]pyrimidine 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 2-[2-(4-chlorophenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]-1H-imidazol-4-yl]pyrimidine?
The IUPAC name of 2-[2-(4-chlorophenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]-1H-imidazol-4-yl]pyrimidine (CID 54670731) is 2-[2-(4-chlorophenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]-1H-imidazol-4-yl]pyrimidine.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]-1H-imidazol-4-yl]pyrimidine?
The canonical SMILES for 2-[2-(4-chlorophenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]-1H-imidazol-4-yl]pyrimidine is Clc1ccc(-c2nc(-c3ncccn3)c(C3CCN(CCc4ccccc4)CC3)[nH]2)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]-1H-imidazol-4-yl]pyrimidine?
The InChIKey is CQQKTUASFMHQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN5/c27-22-9-7-21(8-10-22)25-30-23(24(31-25)26-28-14-4-15-29-26)20-12-17-32(18-13-20)16-11-19-5-2-1-3-6-19/h1-10,14-15,20H,11-13,16-18H2,(H,30,31).
What are the key properties of 2-[2-(4-chlorophenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]-1H-imidazol-4-yl]pyrimidine?
2-[2-(4-chlorophenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]-1H-imidazol-4-yl]pyrimidine has a molecular weight of 443.98 g/mol, XLogP of 5.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]-1H-imidazol-4-yl]pyrimidine is sourced from PubChem (CID 54670731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).