1-[1-[2-(3-chlorophenyl)-5-methyl-1H-imidazol-4-yl]-2,2-diphenylethyl]piperazine

C28H29ClN4 — CID 67738754

IUPAC1-[1-[2-(3-chlorophenyl)-5-methyl-1H-imidazol-4-yl]-2,2-diphenylethyl]piperazine
SMILESCc1[nH]c(-c2cccc(Cl)c2)nc1C(C(c1ccccc1)c1ccccc1)N1CCNCC1
InChIInChI=1S/C28H29ClN4/c1-20-26(32-28(31-20)23-13-8-14-24(29)19-23)27(33-17-15-30-16-18-33)25(21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2-14,19,25,27,30H,15-18H2,1H3,(H,31,32)
InChIKeyLGTUIZXWFDRZSY-UHFFFAOYSA-N
MW457.02 g/mol
LogP5.82
Rot. Bonds6

About 1-[1-[2-(3-chlorophenyl)-5-methyl-1H-imidazol-4-yl]-2,2-diphenylethyl]piperazine

1-[1-[2-(3-chlorophenyl)-5-methyl-1H-imidazol-4-yl]-2,2-diphenylethyl]piperazine (PubChem CID 67738754) has the molecular formula C28H29ClN4 and a molecular weight of 457.02 g/mol. Its IUPAC name is 1-[1-[2-(3-chlorophenyl)-5-methyl-1H-imidazol-4-yl]-2,2-diphenylethyl]piperazine.

Molecular Properties

Compound Name1-[1-[2-(3-chlorophenyl)-5-methyl-1H-imidazol-4-yl]-2,2-diphenylethyl]piperazine
PubChem CID67738754
Molecular FormulaC28H29ClN4
Molecular Weight457.02 g/mol
Exact Mass456.21
IUPAC Name1-[1-[2-(3-chlorophenyl)-5-methyl-1H-imidazol-4-yl]-2,2-diphenylethyl]piperazine
SMILESCc1[nH]c(-c2cccc(Cl)c2)nc1C(C(c1ccccc1)c1ccccc1)N1CCNCC1
InChIInChI=1S/C28H29ClN4/c1-20-26(32-28(31-20)23-13-8-14-24(29)19-23)27(33-17-15-30-16-18-33)25(21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2-14,19,25,27,30H,15-18H2,1H3,(H,31,32)
InChIKeyLGTUIZXWFDRZSY-UHFFFAOYSA-N
XLogP5.82
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.02
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[5-methyl-2-(2-methylphenyl)-1H-imidazol-4-yl]-2,2-diphenylethyl]piperazine
CID 67738602
1-[1,1-bis(3-chlorophenyl)-3-methyl-2-(5-methyl-2-phenyl-1H-imidazol-4-yl)butan-2-yl]piperazine
CID 67738762
1-(5-methyl-2-phenyl-1H-imidazol-4-yl)-4,4-diphenyl-2-piperazin-1-ylbutan-1-ol;trihydrochloride
CID 67738726
1-[2-(2-chlorophenyl)-5-methyl-1H-imidazol-4-yl]-3,3-diphenyl-2-piperazin-1-ylpropan-1-ol;trihydrochloride
CID 67738595
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-[bis(4-chlorophenyl)methyl]-4-[1-(5-methyl-2-phenyl-1H-imidazol-4-yl)ethyl]piperazine;trihydrochloride
CID 22412086
1-[(3-chlorophenyl)-(4-phenylphenyl)methyl]-1,4-diazepane
CID 3829385
1-[(1R)-1-(3-chlorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171286243
1-[1,1-bis(4-chlorophenyl)-3-methyl-2-(5-methyl-2-phenyl-1H-imidazol-4-yl)butan-2-yl]piperazine
CID 67738652
1-[(3-chlorophenyl)-naphthalen-2-ylmethyl]piperazine
CID 4601927
2-(3-chlorophenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine
CID 58786565
1-[1,1-bis(2-chlorophenyl)-3-methyl-2-(5-methyl-2-phenyl-1H-imidazol-4-yl)butan-2-yl]piperazine
CID 67738794

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(3-chlorophenyl)-5-methyl-1H-imidazol-4-yl]-2,2-diphenylethyl]piperazine?
The IUPAC name of 1-[1-[2-(3-chlorophenyl)-5-methyl-1H-imidazol-4-yl]-2,2-diphenylethyl]piperazine (CID 67738754) is 1-[1-[2-(3-chlorophenyl)-5-methyl-1H-imidazol-4-yl]-2,2-diphenylethyl]piperazine.
What is the SMILES notation for 1-[1-[2-(3-chlorophenyl)-5-methyl-1H-imidazol-4-yl]-2,2-diphenylethyl]piperazine?
The canonical SMILES for 1-[1-[2-(3-chlorophenyl)-5-methyl-1H-imidazol-4-yl]-2,2-diphenylethyl]piperazine is Cc1[nH]c(-c2cccc(Cl)c2)nc1C(C(c1ccccc1)c1ccccc1)N1CCNCC1.
What is the InChIKey of 1-[1-[2-(3-chlorophenyl)-5-methyl-1H-imidazol-4-yl]-2,2-diphenylethyl]piperazine?
The InChIKey is LGTUIZXWFDRZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29ClN4/c1-20-26(32-28(31-20)23-13-8-14-24(29)19-23)27(33-17-15-30-16-18-33)25(21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2-14,19,25,27,30H,15-18H2,1H3,(H,31,32).
What are the key properties of 1-[1-[2-(3-chlorophenyl)-5-methyl-1H-imidazol-4-yl]-2,2-diphenylethyl]piperazine?
1-[1-[2-(3-chlorophenyl)-5-methyl-1H-imidazol-4-yl]-2,2-diphenylethyl]piperazine has a molecular weight of 457.02 g/mol, XLogP of 5.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(3-chlorophenyl)-5-methyl-1H-imidazol-4-yl]-2,2-diphenylethyl]piperazine is sourced from PubChem (CID 67738754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).