1-benzhydryl-4-[[5-methyl-1-(4-methylphenyl)imidazol-4-yl]methyl]piperazine;hydrochloride

C29H33ClN4 — CID 67849511

IUPAC1-benzhydryl-4-[[5-methyl-1-(4-methylphenyl)imidazol-4-yl]methyl]piperazine;hydrochloride
SMILESCc1ccc(-n2cnc(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)c2C)cc1.Cl
InChIInChI=1S/C29H32N4.ClH/c1-23-13-15-27(16-14-23)33-22-30-28(24(33)2)21-31-17-19-32(20-18-31)29(25-9-5-3-6-10-25)26-11-7-4-8-12-26;/h3-16,22,29H,17-21H2,1-2H3;1H
InChIKeyYHACZHSOYSIZSJ-UHFFFAOYSA-N
MW473.06 g/mol
LogP5.82
Rot. Bonds6

About 1-benzhydryl-4-[[5-methyl-1-(4-methylphenyl)imidazol-4-yl]methyl]piperazine;hydrochloride

1-benzhydryl-4-[[5-methyl-1-(4-methylphenyl)imidazol-4-yl]methyl]piperazine;hydrochloride (PubChem CID 67849511) has the molecular formula C29H33ClN4 and a molecular weight of 473.06 g/mol. Its IUPAC name is 1-benzhydryl-4-[[5-methyl-1-(4-methylphenyl)imidazol-4-yl]methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-benzhydryl-4-[[5-methyl-1-(4-methylphenyl)imidazol-4-yl]methyl]piperazine;hydrochloride
PubChem CID67849511
Molecular FormulaC29H33ClN4
Molecular Weight473.06 g/mol
Exact Mass472.24
IUPAC Name1-benzhydryl-4-[[5-methyl-1-(4-methylphenyl)imidazol-4-yl]methyl]piperazine;hydrochloride
SMILESCc1ccc(-n2cnc(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)c2C)cc1.Cl
InChIInChI=1S/C29H32N4.ClH/c1-23-13-15-27(16-14-23)33-22-30-28(24(33)2)21-31-17-19-32(20-18-31)29(25-9-5-3-6-10-25)26-11-7-4-8-12-26;/h3-16,22,29H,17-21H2,1-2H3;1H
InChIKeyYHACZHSOYSIZSJ-UHFFFAOYSA-N
XLogP5.82
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.06
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzhydryl-4-[[2-(4-methylphenyl)-1H-imidazol-5-yl]methyl]piperazine
CID 19106667
1-[(4-chlorophenyl)-phenylmethyl]-4-[(4-methylphenyl)methyl]piperazine;dihydrochloride
CID 171382098
1-(1H-imidazol-5-ylmethyl)-4-[(4-methylphenyl)-phenylmethyl]piperazine
CID 142143968
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-benzhydryl-4-ethylpiperazine;ethane
CID 156743025
1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-[(3-methylphenyl)methyl]piperazine;dihydrochloride
CID 76956506
1-benzhydryl-4-(1H-pyrazol-5-ylmethyl)piperazine
CID 166187046
1-(4-benzhydrylpiperazin-1-yl)-2-(4-methylphenoxy)ethanone
CID 2893693
1-benzhydryl-4-[(2-ethoxyphenyl)methyl]piperazine
CID 4529785
1-benzhydryl-4-propan-2-ylpiperazine;2-methylpropane
CID 164924895
1-benzhydryl-4-(naphthalen-1-ylmethyl)piperazine
CID 3431056
5-[(S)-(4-benzylpiperazin-1-yl)-(4-methylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 30675299

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-4-[[5-methyl-1-(4-methylphenyl)imidazol-4-yl]methyl]piperazine;hydrochloride?
The IUPAC name of 1-benzhydryl-4-[[5-methyl-1-(4-methylphenyl)imidazol-4-yl]methyl]piperazine;hydrochloride (CID 67849511) is 1-benzhydryl-4-[[5-methyl-1-(4-methylphenyl)imidazol-4-yl]methyl]piperazine;hydrochloride.
What is the SMILES notation for 1-benzhydryl-4-[[5-methyl-1-(4-methylphenyl)imidazol-4-yl]methyl]piperazine;hydrochloride?
The canonical SMILES for 1-benzhydryl-4-[[5-methyl-1-(4-methylphenyl)imidazol-4-yl]methyl]piperazine;hydrochloride is Cc1ccc(-n2cnc(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)c2C)cc1.Cl.
What is the InChIKey of 1-benzhydryl-4-[[5-methyl-1-(4-methylphenyl)imidazol-4-yl]methyl]piperazine;hydrochloride?
The InChIKey is YHACZHSOYSIZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4.ClH/c1-23-13-15-27(16-14-23)33-22-30-28(24(33)2)21-31-17-19-32(20-18-31)29(25-9-5-3-6-10-25)26-11-7-4-8-12-26;/h3-16,22,29H,17-21H2,1-2H3;1H.
What are the key properties of 1-benzhydryl-4-[[5-methyl-1-(4-methylphenyl)imidazol-4-yl]methyl]piperazine;hydrochloride?
1-benzhydryl-4-[[5-methyl-1-(4-methylphenyl)imidazol-4-yl]methyl]piperazine;hydrochloride has a molecular weight of 473.06 g/mol, XLogP of 5.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-4-[[5-methyl-1-(4-methylphenyl)imidazol-4-yl]methyl]piperazine;hydrochloride is sourced from PubChem (CID 67849511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).