1-benzhydryl-4-[[2-(4-methylphenyl)-1H-imidazol-5-yl]methyl]piperazine

C28H30N4 — CID 19106667

IUPAC1-benzhydryl-4-[[2-(4-methylphenyl)-1H-imidazol-5-yl]methyl]piperazine
SMILESCc1ccc(-c2ncc(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)[nH]2)cc1
InChIInChI=1S/C28H30N4/c1-22-12-14-25(15-13-22)28-29-20-26(30-28)21-31-16-18-32(19-17-31)27(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-15,20,27H,16-19,21H2,1H3,(H,29,30)
InChIKeyWOLVBHVJURJLFT-UHFFFAOYSA-N
MW422.58 g/mol
LogP5.29
Rot. Bonds6

About 1-benzhydryl-4-[[2-(4-methylphenyl)-1H-imidazol-5-yl]methyl]piperazine

1-benzhydryl-4-[[2-(4-methylphenyl)-1H-imidazol-5-yl]methyl]piperazine (PubChem CID 19106667) has the molecular formula C28H30N4 and a molecular weight of 422.58 g/mol. Its IUPAC name is 1-benzhydryl-4-[[2-(4-methylphenyl)-1H-imidazol-5-yl]methyl]piperazine.

Molecular Properties

Compound Name1-benzhydryl-4-[[2-(4-methylphenyl)-1H-imidazol-5-yl]methyl]piperazine
PubChem CID19106667
Molecular FormulaC28H30N4
Molecular Weight422.58 g/mol
Exact Mass422.25
IUPAC Name1-benzhydryl-4-[[2-(4-methylphenyl)-1H-imidazol-5-yl]methyl]piperazine
SMILESCc1ccc(-c2ncc(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)[nH]2)cc1
InChIInChI=1S/C28H30N4/c1-22-12-14-25(15-13-22)28-29-20-26(30-28)21-31-16-18-32(19-17-31)27(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-15,20,27H,16-19,21H2,1H3,(H,29,30)
InChIKeyWOLVBHVJURJLFT-UHFFFAOYSA-N
XLogP5.29
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.58
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-benzhydryl-4-[[2-(4-methylphenyl)-1H-imidazol-5-yl]methyl]piperazine 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 1-benzhydryl-4-[[2-(4-methylphenyl)-1H-imidazol-5-yl]methyl]piperazine?
The IUPAC name of 1-benzhydryl-4-[[2-(4-methylphenyl)-1H-imidazol-5-yl]methyl]piperazine (CID 19106667) is 1-benzhydryl-4-[[2-(4-methylphenyl)-1H-imidazol-5-yl]methyl]piperazine.
What is the SMILES notation for 1-benzhydryl-4-[[2-(4-methylphenyl)-1H-imidazol-5-yl]methyl]piperazine?
The canonical SMILES for 1-benzhydryl-4-[[2-(4-methylphenyl)-1H-imidazol-5-yl]methyl]piperazine is Cc1ccc(-c2ncc(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)[nH]2)cc1.
What is the InChIKey of 1-benzhydryl-4-[[2-(4-methylphenyl)-1H-imidazol-5-yl]methyl]piperazine?
The InChIKey is WOLVBHVJURJLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4/c1-22-12-14-25(15-13-22)28-29-20-26(30-28)21-31-16-18-32(19-17-31)27(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-15,20,27H,16-19,21H2,1H3,(H,29,30).
What are the key properties of 1-benzhydryl-4-[[2-(4-methylphenyl)-1H-imidazol-5-yl]methyl]piperazine?
1-benzhydryl-4-[[2-(4-methylphenyl)-1H-imidazol-5-yl]methyl]piperazine has a molecular weight of 422.58 g/mol, XLogP of 5.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-4-[[2-(4-methylphenyl)-1H-imidazol-5-yl]methyl]piperazine is sourced from PubChem (CID 19106667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).