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

C29H32N4 — CID 67738602

IUPAC1-[1-[5-methyl-2-(2-methylphenyl)-1H-imidazol-4-yl]-2,2-diphenylethyl]piperazine
SMILESCc1ccccc1-c1nc(C(C(c2ccccc2)c2ccccc2)N2CCNCC2)c(C)[nH]1
InChIInChI=1S/C29H32N4/c1-21-11-9-10-16-25(21)29-31-22(2)27(32-29)28(33-19-17-30-18-20-33)26(23-12-5-3-6-13-23)24-14-7-4-8-15-24/h3-16,26,28,30H,17-20H2,1-2H3,(H,31,32)
InChIKeyLJLAGTZYSJWJRR-UHFFFAOYSA-N
MW436.60 g/mol
LogP5.47
Rot. Bonds6

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

1-[1-[5-methyl-2-(2-methylphenyl)-1H-imidazol-4-yl]-2,2-diphenylethyl]piperazine (PubChem CID 67738602) has the molecular formula C29H32N4 and a molecular weight of 436.60 g/mol. Its IUPAC name is 1-[1-[5-methyl-2-(2-methylphenyl)-1H-imidazol-4-yl]-2,2-diphenylethyl]piperazine.

Molecular Properties

Compound Name1-[1-[5-methyl-2-(2-methylphenyl)-1H-imidazol-4-yl]-2,2-diphenylethyl]piperazine
PubChem CID67738602
Molecular FormulaC29H32N4
Molecular Weight436.60 g/mol
Exact Mass436.26
IUPAC Name1-[1-[5-methyl-2-(2-methylphenyl)-1H-imidazol-4-yl]-2,2-diphenylethyl]piperazine
SMILESCc1ccccc1-c1nc(C(C(c2ccccc2)c2ccccc2)N2CCNCC2)c(C)[nH]1
InChIInChI=1S/C29H32N4/c1-21-11-9-10-16-25(21)29-31-22(2)27(32-29)28(33-19-17-30-18-20-33)26(23-12-5-3-6-13-23)24-14-7-4-8-15-24/h3-16,26,28,30H,17-20H2,1-2H3,(H,31,32)
InChIKeyLJLAGTZYSJWJRR-UHFFFAOYSA-N
XLogP5.47
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.60
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[2-(3-chlorophenyl)-5-methyl-1H-imidazol-4-yl]-2,2-diphenylethyl]piperazine
CID 67738754
1-[5-ethyl-2-(2-methylphenyl)-1H-imidazol-4-yl]-3,3-diphenyl-2-piperazin-1-ylpropan-1-ol
CID 67738731
1-[2-(2-chlorophenyl)-5-methyl-1H-imidazol-4-yl]-3,3-diphenyl-2-piperazin-1-ylpropan-1-ol;trihydrochloride
CID 67738595
1-(5-methyl-2-phenyl-1H-imidazol-4-yl)-4,4-diphenyl-2-piperazin-1-ylbutan-1-ol;trihydrochloride
CID 67738726
3,3-bis(4-tert-butylphenyl)-1-(5-methyl-2-phenyl-1H-imidazol-4-yl)-2-piperazin-1-ylpropan-1-ol;trihydrochloride
CID 67738572
1-[(1S)-1-phenylethyl]piperazine;dihydrochloride
CID 57383523
1-[bromo(phenyl)methyl]piperazine
CID 174618409
1-[(3-methyl-2-pyridinyl)-naphthalen-2-ylmethyl]piperazine
CID 3314309
1-benzhydryl-4-[1-(2-ethyl-5-methyl-1H-imidazol-4-yl)-2-methylpropyl]piperazine;trihydrochloride
CID 22412372
phenyl(piperazin-1-yl)methanol
CID 23037926
1-[(S)-(3-methylphenyl)-phenylmethyl]piperazine
CID 92754605
1-[3-methyl-1,1-bis(2-methylphenyl)-2-(5-methyl-2-phenyl-1H-imidazol-4-yl)butan-2-yl]piperazine
CID 67738748

Frequently Asked Questions

What is the IUPAC name of 1-[1-[5-methyl-2-(2-methylphenyl)-1H-imidazol-4-yl]-2,2-diphenylethyl]piperazine?
The IUPAC name of 1-[1-[5-methyl-2-(2-methylphenyl)-1H-imidazol-4-yl]-2,2-diphenylethyl]piperazine (CID 67738602) is 1-[1-[5-methyl-2-(2-methylphenyl)-1H-imidazol-4-yl]-2,2-diphenylethyl]piperazine.
What is the SMILES notation for 1-[1-[5-methyl-2-(2-methylphenyl)-1H-imidazol-4-yl]-2,2-diphenylethyl]piperazine?
The canonical SMILES for 1-[1-[5-methyl-2-(2-methylphenyl)-1H-imidazol-4-yl]-2,2-diphenylethyl]piperazine is Cc1ccccc1-c1nc(C(C(c2ccccc2)c2ccccc2)N2CCNCC2)c(C)[nH]1.
What is the InChIKey of 1-[1-[5-methyl-2-(2-methylphenyl)-1H-imidazol-4-yl]-2,2-diphenylethyl]piperazine?
The InChIKey is LJLAGTZYSJWJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4/c1-21-11-9-10-16-25(21)29-31-22(2)27(32-29)28(33-19-17-30-18-20-33)26(23-12-5-3-6-13-23)24-14-7-4-8-15-24/h3-16,26,28,30H,17-20H2,1-2H3,(H,31,32).
What are the key properties of 1-[1-[5-methyl-2-(2-methylphenyl)-1H-imidazol-4-yl]-2,2-diphenylethyl]piperazine?
1-[1-[5-methyl-2-(2-methylphenyl)-1H-imidazol-4-yl]-2,2-diphenylethyl]piperazine has a molecular weight of 436.60 g/mol, XLogP of 5.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[5-methyl-2-(2-methylphenyl)-1H-imidazol-4-yl]-2,2-diphenylethyl]piperazine is sourced from PubChem (CID 67738602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).