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

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Related Compounds

1-(1H-imidazol-5-ylmethyl)-4-[(4-methylphenyl)-phenylmethyl]piperazine
CID 142143968
1-benzhydryl-4-[[5-methyl-1-(4-methylphenyl)imidazol-4-yl]methyl]piperazine;hydrochloride
CID 67849511
1-benzhydryl-4-(1H-pyrazol-5-ylmethyl)piperazine
CID 166187046
1-[(4-chlorophenyl)-phenylmethyl]-4-[(4-methylphenyl)methyl]piperazine;dihydrochloride
CID 171382098
1-[(2-phenyl-1H-imidazol-5-yl)methyl]-4-[(Z)-3-phenylprop-2-enyl]piperazine
CID 74226153
1-[[2-(2,6-dideuterio-4-methylphenyl)-5-methyl-1H-imidazol-4-yl]methyl]-4-[(2,3,4,5,6-pentadeuteriophenyl)-phenylmethyl]piperazine
CID 10049076
1-[bis(4-tert-butylphenyl)methyl]-4-[[5-methyl-2-(4-methylphenyl)-1H-imidazol-4-yl]methyl]piperazine
CID 19106706
1-benzhydryl-4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]piperazine
CID 3950108
1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-(1H-imidazol-5-ylmethyl)piperazine;1-(1H-imidazol-5-ylmethyl)-4-[(4-methylphenyl)-pyridin-2-ylmethyl]piperazine
CID 160811197
1-benzhydryl-4-ethylpiperazine;ethane
CID 156743025
1-[(2-phenyl-1H-imidazol-5-yl)methyl]-4-pyridin-4-ylpiperazine;bis(2,2,2-trifluoroacetic acid)
CID 154891600
1-benzhydryl-4-but-2-ynylpiperazine
CID 20795218

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).