1-(1H-imidazol-5-ylmethyl)-4-[(4-methylphenyl)-phenylmethyl]piperazine

C22H26N4 — CID 142143968

IUPAC1-(1H-imidazol-5-ylmethyl)-4-[(4-methylphenyl)-phenylmethyl]piperazine
SMILESCc1ccc(C(c2ccccc2)N2CCN(Cc3cnc[nH]3)CC2)cc1
InChIInChI=1S/C22H26N4/c1-18-7-9-20(10-8-18)22(19-5-3-2-4-6-19)26-13-11-25(12-14-26)16-21-15-23-17-24-21/h2-10,15,17,22H,11-14,16H2,1H3,(H,23,24)
InChIKeyIWAUYGNNPXQAHO-UHFFFAOYSA-N
MW346.48 g/mol
LogP3.63
Rot. Bonds5

About 1-(1H-imidazol-5-ylmethyl)-4-[(4-methylphenyl)-phenylmethyl]piperazine

1-(1H-imidazol-5-ylmethyl)-4-[(4-methylphenyl)-phenylmethyl]piperazine (PubChem CID 142143968) has the molecular formula C22H26N4 and a molecular weight of 346.48 g/mol. Its IUPAC name is 1-(1H-imidazol-5-ylmethyl)-4-[(4-methylphenyl)-phenylmethyl]piperazine.

Molecular Properties

Compound Name1-(1H-imidazol-5-ylmethyl)-4-[(4-methylphenyl)-phenylmethyl]piperazine
PubChem CID142143968
Molecular FormulaC22H26N4
Molecular Weight346.48 g/mol
Exact Mass346.22
IUPAC Name1-(1H-imidazol-5-ylmethyl)-4-[(4-methylphenyl)-phenylmethyl]piperazine
SMILESCc1ccc(C(c2ccccc2)N2CCN(Cc3cnc[nH]3)CC2)cc1
InChIInChI=1S/C22H26N4/c1-18-7-9-20(10-8-18)22(19-5-3-2-4-6-19)26-13-11-25(12-14-26)16-21-15-23-17-24-21/h2-10,15,17,22H,11-14,16H2,1H3,(H,23,24)
InChIKeyIWAUYGNNPXQAHO-UHFFFAOYSA-N
XLogP3.63
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-[[2-(4-methylphenyl)-1H-imidazol-5-yl]methyl]piperazine
CID 19106667
1-[(4-chlorophenyl)-phenylmethyl]-4-[(4-methylphenyl)methyl]piperazine;dihydrochloride
CID 171382098
1-benzhydryl-4-(1H-pyrazol-5-ylmethyl)piperazine
CID 166187046
methyl 3-[4-[[4-[4-[[4-[2-(1H-imidazol-5-yl)acetyl]piperazin-1-yl]-phenylmethyl]phenyl]phenyl]-phenylmethyl]piperazin-1-yl]-3-oxopropanoate
CID 166114821
1-benzhydryl-4-[[5-methyl-1-(4-methylphenyl)imidazol-4-yl]methyl]piperazine;hydrochloride
CID 67849511
2-[(4-chlorophenyl)-[4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]methyl]pyridine;1-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-4-(1H-imidazol-5-ylmethyl)piperazine
CID 157420167
1-benzhydryl-4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]piperazine
CID 3950108
1-(1H-imidazol-5-ylmethyl)-4-(3-phenylpropyl)-1,4-diazepane
CID 56917910
1-(1H-imidazol-5-ylmethyl)piperidine;dihydrochloride
CID 174338495
1-benzhydryl-4-ethylpiperazine;ethane
CID 156743025
1-[(4-fluorophenyl)-(4-methylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 59781381

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-ylmethyl)-4-[(4-methylphenyl)-phenylmethyl]piperazine?
The IUPAC name of 1-(1H-imidazol-5-ylmethyl)-4-[(4-methylphenyl)-phenylmethyl]piperazine (CID 142143968) is 1-(1H-imidazol-5-ylmethyl)-4-[(4-methylphenyl)-phenylmethyl]piperazine.
What is the SMILES notation for 1-(1H-imidazol-5-ylmethyl)-4-[(4-methylphenyl)-phenylmethyl]piperazine?
The canonical SMILES for 1-(1H-imidazol-5-ylmethyl)-4-[(4-methylphenyl)-phenylmethyl]piperazine is Cc1ccc(C(c2ccccc2)N2CCN(Cc3cnc[nH]3)CC2)cc1.
What is the InChIKey of 1-(1H-imidazol-5-ylmethyl)-4-[(4-methylphenyl)-phenylmethyl]piperazine?
The InChIKey is IWAUYGNNPXQAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4/c1-18-7-9-20(10-8-18)22(19-5-3-2-4-6-19)26-13-11-25(12-14-26)16-21-15-23-17-24-21/h2-10,15,17,22H,11-14,16H2,1H3,(H,23,24).
What are the key properties of 1-(1H-imidazol-5-ylmethyl)-4-[(4-methylphenyl)-phenylmethyl]piperazine?
1-(1H-imidazol-5-ylmethyl)-4-[(4-methylphenyl)-phenylmethyl]piperazine has a molecular weight of 346.48 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-ylmethyl)-4-[(4-methylphenyl)-phenylmethyl]piperazine is sourced from PubChem (CID 142143968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).